#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g3i s GLU 3 N 0.00 1.19 0.00 1.43 2.56 -1.26 -5.18 118.70 117.44 1g3i s GLU 3 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 54.97 53.87 1g3i s GLU 3 Cb 0.00 0.41 0.00 0.00 2.00 0.00 0.00 34.13 36.54 1g3i s GLU 3 CO 0.00 -0.45 0.00 -1.33 -0.56 0.00 0.00 175.26 172.92 1g3i n MET 4 N -0.24 0.53 -4.17 4.30 2.81 -1.26 -5.11 117.12 113.98 1g3i n MET 4 Ca -0.08 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.62 1g3i n MET 4 Cb 0.63 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 33.02 1g3i n MET 4 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1g3i s THR 5 N -0.29 1.12 0.09 2.03 -1.32 -1.26 -4.98 115.64 111.03 1g3i s THR 5 Ca 0.00 -1.32 -0.29 0.00 -1.21 0.00 0.00 61.69 58.87 1g3i s THR 5 Cb 0.00 -1.09 -0.15 0.00 -1.51 0.00 0.00 72.50 69.76 1g3i s THR 5 CO 0.00 -0.23 1.65 1.55 -2.21 0.00 0.00 174.62 175.38 1g3i h PRO 6 N 4.28 -0.60 -1.49 7.08 0.13 -1.98 0.26 132.00 139.67 1g3i h PRO 6 Ca -0.41 0.04 0.43 0.00 -0.87 0.00 0.00 66.00 65.19 1g3i h PRO 6 Cb 1.19 0.14 -0.06 0.00 0.13 0.00 0.00 31.00 32.40 1g3i h PRO 6 CO 0.40 -0.40 1.28 -0.09 -0.23 0.00 0.00 178.00 178.96 1g3i h ARG 7 N -0.62 0.00 0.00 0.86 9.65 -1.99 0.54 114.38 122.82 1g3i h ARG 7 Ca -0.04 0.00 -0.38 0.00 -1.10 0.00 0.00 59.98 58.46 1g3i h ARG 7 Cb 0.52 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.03 1g3i h ARG 7 CO 0.02 0.00 -2.45 0.39 2.80 0.00 0.00 179.97 180.73 1g3i n GLU 8 N -3.65 0.66 -0.31 0.20 1.02 -0.95 -4.25 120.64 113.35 1g3i n GLU 8 Ca 0.33 0.11 0.16 0.00 -0.02 0.00 0.00 57.16 57.75 1g3i n GLU 8 Cb 1.73 -1.52 0.42 0.00 -0.02 0.00 0.00 31.44 32.05 1g3i n GLU 8 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1g3i h ILE 9 N 0.00 0.68 0.01 -3.67 2.04 0.22 -1.44 117.51 115.34 1g3i h ILE 9 Ca -0.57 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1g3i h ILE 9 Cb 2.00 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1g3i h ILE 9 CO -0.05 0.11 -0.01 0.58 0.00 0.00 0.00 178.15 178.77 1g3i h VAL 10 N 0.59 0.00 -0.19 1.67 2.07 -1.47 -2.16 116.25 116.75 1g3i h VAL 10 Ca 0.54 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.11 1g3i h VAL 10 Cb 1.07 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1g3i h VAL 10 CO -0.29 0.00 0.56 0.28 0.02 0.00 0.00 177.57 178.15 1g3i h SER 11 N -0.02 0.00 1.13 0.57 0.02 -1.48 0.66 113.55 114.44 1g3i h SER 11 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1g3i h SER 11 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1g3i h SER 11 CO -0.00 0.00 -0.63 -0.08 -1.14 0.00 0.00 176.83 174.98 1g3i h GLU 12 N 0.00 0.00 0.00 3.45 4.81 -0.84 -3.25 114.58 118.75 1g3i h GLU 12 Ca 0.09 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 1g3i h GLU 12 Cb 1.22 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1g3i h GLU 12 CO -0.00 0.00 -1.40 1.28 -0.73 0.00 0.00 179.01 178.16 1g3i n LEU 13 N -2.49 0.76 -0.44 1.64 4.77 0.22 -4.06 117.00 117.40 1g3i n LEU 13 Ca 0.02 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1g3i n LEU 13 Cb 0.50 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1g3i n LEU 13 CO 0.37 0.07 0.11 0.47 -1.33 0.00 0.00 177.39 177.08 1g3i n ASP 14 N -2.79 0.33 0.00 -1.43 10.43 -0.60 -1.78 116.55 120.72 1g3i n ASP 14 Ca -0.08 -0.76 0.00 0.00 2.57 0.00 0.00 54.79 56.52 1g3i n ASP 14 Cb 0.77 -0.17 0.00 0.00 1.84 0.00 0.00 41.12 43.56 1g3i n ASP 14 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1g3i n GLN 15 N 0.21 -0.45 0.00 -1.24 6.02 -1.26 -4.69 117.38 115.97 1g3i n GLN 15 Ca 0.00 -0.55 0.00 0.00 -0.01 0.00 0.00 57.00 56.44 1g3i n GLN 15 Cb 0.08 -0.94 0.00 0.00 1.02 0.00 0.00 30.24 30.40 1g3i n GLN 15 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1g3i n HIS 16 N -0.05 0.00 -3.12 1.08 8.25 -0.73 0.39 115.22 121.03 1g3i n HIS 16 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 1g3i n HIS 16 Cb 0.06 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.12 1g3i n HIS 16 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1g3i n ILE 17 N 0.00 -0.64 -2.46 1.59 5.41 -0.73 -4.98 119.36 117.55 1g3i n ILE 17 Ca 0.00 -3.22 -0.37 0.00 1.00 0.00 0.00 62.75 60.16 1g3i n ILE 17 Cb 0.00 -1.06 -0.03 0.00 -0.71 0.00 0.00 39.64 37.84 1g3i n ILE 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1g3i s ILE 18 N -0.43 3.51 0.00 1.39 1.10 -1.26 -4.61 121.20 120.91 1g3i s ILE 18 Ca 0.34 1.23 0.00 0.00 -0.51 0.00 0.00 60.65 61.71 1g3i s ILE 18 Cb 0.14 -3.67 0.00 0.00 0.15 0.00 0.00 42.46 39.08 1g3i s ILE 18 CO -0.15 0.08 0.00 0.61 -2.11 0.00 0.00 174.94 173.37 1g3i n GLY 19 N 0.54 0.29 7.00 1.50 0.00 -1.26 -4.92 105.19 108.34 1g3i n GLY 19 Ca 0.04 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1g3i n GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g3i n GLN 20 N 0.00 0.00 0.00 1.61 1.13 -1.26 -4.99 117.38 113.87 1g3i n GLN 20 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1g3i n GLN 20 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1g3i n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1g3i n ALA 21 N 2.67 0.00 0.15 -1.58 0.00 -1.26 -4.87 120.51 115.62 1g3i n ALA 21 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 1g3i n ALA 21 Cb 0.00 0.00 0.52 0.00 0.00 0.00 0.00 19.45 19.97 1g3i n ALA 21 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1g3i h ASP 22 N 0.00 0.00 0.00 0.00 3.32 -1.94 -1.20 116.42 116.60 1g3i h ASP 22 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1g3i h ASP 22 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1g3i h ASP 22 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1g3i n ALA 23 N -1.99 -0.08 -0.21 3.45 0.00 -1.26 -2.62 120.51 117.80 1g3i n ALA 23 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.45 1g3i n ALA 23 Cb 0.85 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.30 1g3i n ALA 23 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1g3i h LYS 24 N 0.00 -0.17 -0.94 0.00 1.57 -1.64 -2.03 116.57 113.36 1g3i h LYS 24 Ca 0.00 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.92 1g3i h LYS 24 Cb 0.00 0.04 -0.14 0.00 0.08 0.00 0.00 32.23 32.21 1g3i h LYS 24 CO 0.00 -0.11 -0.43 0.54 -0.57 0.00 0.00 179.45 178.88 1g3i n ARG 25 N -5.43 -0.29 0.19 3.15 1.74 -0.74 0.51 116.66 115.79 1g3i n ARG 25 Ca 0.04 1.44 0.04 0.00 -0.77 0.00 0.00 57.85 58.60 1g3i n ARG 25 Cb 0.36 -2.14 0.37 0.00 -1.02 0.00 0.00 32.46 30.03 1g3i n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1g3i h ALA 26 N 1.03 1.25 -0.40 7.54 0.00 -1.16 -1.59 119.26 125.92 1g3i h ALA 26 Ca 0.27 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1g3i h ALA 26 Cb 0.51 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1g3i h ALA 26 CO -0.92 0.48 -0.19 0.28 0.00 0.00 0.00 179.25 178.90 1g3i h VAL 27 N 0.00 1.27 0.38 0.00 2.07 0.74 -3.06 116.25 117.64 1g3i h VAL 27 Ca -0.00 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 1g3i h VAL 27 Cb 0.73 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1g3i h VAL 27 CO 0.05 0.43 -0.18 0.00 0.02 0.00 0.00 177.57 177.89 1g3i h ALA 28 N 1.11 -0.71 0.00 1.67 0.00 0.21 -3.03 119.26 118.51 1g3i h ALA 28 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1g3i h ALA 28 Cb 0.69 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1g3i h ALA 28 CO 0.05 -0.67 0.28 0.44 0.00 0.00 0.00 179.25 179.35 1g3i n ILE 29 N -4.13 0.82 0.09 0.00 -5.35 -0.65 0.85 119.36 110.99 1g3i n ILE 29 Ca -0.06 0.48 -0.23 0.00 -0.27 0.00 0.00 62.75 62.67 1g3i n ILE 29 Cb 0.20 -1.48 -0.15 0.00 -1.74 0.00 0.00 39.64 36.47 1g3i n ILE 29 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1g3i h ALA 30 N 0.85 0.11 0.01 -1.28 0.00 -1.42 -3.08 119.26 114.45 1g3i h ALA 30 Ca 0.00 -1.09 -0.20 0.00 0.00 0.00 0.00 54.91 53.62 1g3i h ALA 30 Cb 0.55 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1g3i h ALA 30 CO 0.00 0.98 -0.90 1.25 0.00 0.00 0.00 179.25 180.59 1g3i h LEU 31 N 0.11 0.24 -0.57 0.00 5.85 0.45 -3.26 115.31 118.13 1g3i h LEU 31 Ca -0.32 -0.20 -0.13 0.00 0.84 0.00 0.00 57.88 58.07 1g3i h LEU 31 Cb 2.11 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 43.05 1g3i h LEU 31 CO 0.19 1.02 -0.26 -0.09 -0.34 0.00 0.00 178.44 178.96 1g3i h ARG 32 N 0.10 0.87 0.00 1.25 9.65 -1.54 -2.96 114.38 121.74 1g3i h ARG 32 Ca -0.05 -0.38 0.00 0.00 -1.10 0.00 0.00 59.98 58.45 1g3i h ARG 32 Cb 1.53 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.09 1g3i h ARG 32 CO 0.14 1.02 0.00 0.09 2.80 0.00 0.00 179.97 184.02 1g3i n ASN 33 N -4.10 0.00 -0.91 -3.80 3.02 -1.16 -1.60 115.26 106.71 1g3i n ASN 33 Ca -0.00 -0.25 0.12 0.00 -0.03 0.00 0.00 54.58 54.42 1g3i n ASN 33 Cb 0.47 -0.22 0.10 0.00 -0.61 0.00 0.00 39.78 39.52 1g3i n ASN 33 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1g3i n ARG 34 N -1.22 2.21 -0.08 3.52 0.63 -1.12 -3.72 116.66 116.89 1g3i n ARG 34 Ca 0.14 -1.82 -0.17 0.00 -0.92 0.00 0.00 57.85 55.08 1g3i n ARG 34 Cb 0.18 -1.46 -0.06 0.00 0.45 0.00 0.00 32.46 31.57 1g3i n ARG 34 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99 1g3i n TRP 35 N 1.20 0.00 0.20 -0.14 -0.00 -0.94 -4.26 117.44 113.50 1g3i n TRP 35 Ca 0.14 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.75 1g3i n TRP 35 Cb 0.58 -0.57 0.60 0.00 -0.00 0.00 0.00 31.31 31.93 1g3i n TRP 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1g3i h ARG 36 N -0.59 0.00 0.00 5.87 2.47 -1.49 0.68 114.38 121.32 1g3i h ARG 36 Ca -0.39 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.22 1g3i h ARG 36 Cb 1.31 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.61 1g3i h ARG 36 CO -0.23 0.00 -0.66 -0.09 0.56 0.00 0.00 179.97 179.55 1g3i h ARG 37 N 0.00 0.00 -0.08 0.04 2.43 -1.76 -3.35 114.38 111.66 1g3i h ARG 37 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1g3i h ARG 37 Cb 0.28 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1g3i h ARG 37 CO 0.00 0.45 -0.10 1.98 -1.51 0.00 0.00 179.97 180.79 1g3i h MET 38 N 0.00 0.21 -3.36 0.20 4.05 0.20 -3.35 114.93 112.88 1g3i h MET 38 Ca -0.03 -0.12 -0.40 0.00 -0.28 0.00 0.00 59.70 58.87 1g3i h MET 38 Cb 1.41 0.01 0.02 0.00 -0.80 0.00 0.00 31.60 32.23 1g3i h MET 38 CO 0.06 0.67 2.66 1.04 0.23 0.00 0.00 176.91 181.56 1g3i n GLN 39 N -4.66 2.23 -3.79 0.39 3.00 -1.22 -4.76 117.38 108.56 1g3i n GLN 39 Ca -0.07 -1.51 -0.13 0.00 -0.01 0.00 0.00 57.00 55.28 1g3i n GLN 39 Cb 0.33 -2.47 -0.09 0.00 0.00 0.00 0.00 30.24 28.02 1g3i n GLN 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1g3i s LEU 40 N 0.10 1.04 0.00 1.08 1.43 -1.26 -5.08 118.68 115.99 1g3i s LEU 40 Ca 0.43 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.58 1g3i s LEU 40 Cb 0.11 1.09 0.00 0.00 0.03 0.00 0.00 46.19 47.42 1g3i s LEU 40 CO -0.04 -0.40 0.00 0.00 0.23 0.00 0.00 176.35 176.15 1g3i n GLN 41 N 1.46 1.05 0.05 1.70 10.64 -1.26 -4.83 117.38 126.19 1g3i n GLN 41 Ca -0.21 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 54.85 1g3i n GLN 41 Cb 0.56 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.86 1g3i n GLN 41 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1g3i h GLU 42 N 0.00 -0.21 0.00 2.61 4.57 -2.00 -3.36 114.58 116.19 1g3i h GLU 42 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1g3i h GLU 42 Cb 0.00 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1g3i h GLU 42 CO 0.00 0.22 0.00 -2.30 -1.18 0.00 0.00 179.01 175.75 1g3i n PRO 43 N -4.92 0.00 -0.22 0.92 -0.02 -1.26 -3.01 135.00 126.48 1g3i n PRO 43 Ca -0.08 0.33 -0.02 0.00 -2.02 0.00 0.00 63.50 61.72 1g3i n PRO 43 Cb 0.26 -1.11 -0.02 0.00 -0.02 0.00 0.00 33.50 32.61 1g3i n PRO 43 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1g3i n LEU 44 N -1.10 1.60 0.13 2.45 4.77 -1.26 -3.39 117.00 120.20 1g3i n LEU 44 Ca 0.00 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 1g3i n LEU 44 Cb 0.00 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1g3i n LEU 44 CO 0.00 0.24 -0.00 -1.14 -1.33 0.00 0.00 177.39 175.16 1g3i n ARG 45 N 2.30 0.00 0.00 3.23 0.63 -1.17 -4.72 116.66 116.93 1g3i n ARG 45 Ca 0.06 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.06 1g3i n ARG 45 Cb 0.21 -0.01 0.33 0.00 0.45 0.00 0.00 32.46 33.44 1g3i n ARG 45 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 1g3i n HIS 46 N -3.40 0.00 -3.52 -0.14 1.44 -1.21 -3.67 115.22 104.72 1g3i n HIS 46 Ca 0.00 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.44 1g3i n HIS 46 Cb 0.00 -0.48 -0.09 0.00 0.12 0.00 0.00 29.99 29.54 1g3i n HIS 46 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 1g3i n GLU 47 N -1.48 1.72 -2.69 -1.40 0.28 -1.24 -4.77 120.64 111.06 1g3i n GLU 47 Ca 0.04 -4.18 -0.06 0.00 -0.16 0.00 0.00 57.16 52.80 1g3i n GLU 47 Cb 0.17 -2.01 0.09 0.00 1.43 0.00 0.00 31.44 31.12 1g3i n GLU 47 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1g3i n VAL 48 N 1.52 0.00 -1.48 3.84 3.14 -1.24 -4.86 118.33 119.25 1g3i n VAL 48 Ca 0.25 -1.29 -0.54 0.00 -2.96 0.00 0.00 64.34 59.80 1g3i n VAL 48 Cb 0.42 0.90 -0.06 0.00 -1.06 0.00 0.00 33.84 34.04 1g3i n VAL 48 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1g3i n THR 49 N -0.58 0.73 -0.65 1.55 -1.04 -1.26 -4.91 114.28 108.11 1g3i n THR 49 Ca -0.09 -0.18 -0.32 0.00 -2.04 0.00 0.00 64.05 61.42 1g3i n THR 49 Cb 0.80 -0.09 0.18 0.00 -1.82 0.00 0.00 70.33 69.40 1g3i n THR 49 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1g3i n PRO 50 N 1.38 -1.76 -3.59 -2.82 -0.02 -1.26 -4.96 135.00 121.97 1g3i n PRO 50 Ca 0.19 -0.50 -0.40 0.00 -2.02 0.00 0.00 63.50 60.77 1g3i n PRO 50 Cb 0.15 -1.72 -0.08 0.00 -0.02 0.00 0.00 33.50 31.84 1g3i n PRO 50 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1g3i s LYS 51 N -3.51 2.61 0.86 -0.52 -0.14 -1.26 -5.06 119.74 112.72 1g3i s LYS 51 Ca 0.56 -2.08 -0.11 0.00 -1.36 0.00 0.00 55.97 52.98 1g3i s LYS 51 Cb -0.12 -3.91 0.11 0.00 -1.68 0.00 0.00 37.83 32.23 1g3i s LYS 51 CO 0.65 -1.19 1.17 -0.80 -0.76 0.00 0.00 175.35 174.41 1g3i s ASN 52 N 1.98 3.29 0.11 2.83 0.01 -1.26 -4.79 114.94 117.11 1g3i s ASN 52 Ca 0.11 2.24 0.09 0.00 -0.71 0.00 0.00 52.86 54.59 1g3i s ASN 52 Cb -0.22 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 38.83 1g3i s ASN 52 CO -0.03 -2.86 -0.23 -0.63 -1.51 0.00 0.00 177.10 171.84 1g3i s ILE 53 N -2.45 1.86 -0.20 0.60 1.01 -0.46 -2.32 121.20 119.24 1g3i s ILE 53 Ca 0.69 -1.58 -0.00 0.00 0.00 0.00 0.00 60.65 59.76 1g3i s ILE 53 Cb -0.25 -1.67 0.05 0.00 0.01 0.00 0.00 42.46 40.60 1g3i s ILE 53 CO 0.55 0.00 -0.04 -0.76 0.00 0.00 0.00 174.94 174.68 1g3i s LEU 54 N -1.89 1.94 -0.35 2.97 1.43 -0.29 -1.21 118.68 121.28 1g3i s LEU 54 Ca 0.09 -0.88 -0.22 0.00 -1.03 0.00 0.00 54.13 52.09 1g3i s LEU 54 Cb -0.10 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.14 1g3i s LEU 54 CO 0.05 -0.22 0.72 -0.04 0.23 0.00 0.00 176.35 177.09 1g3i s MET 55 N 1.56 3.76 -0.43 1.70 -1.94 0.14 -1.58 119.30 122.50 1g3i s MET 55 Ca -0.02 0.24 -0.15 0.00 -1.71 0.00 0.00 55.69 54.05 1g3i s MET 55 Cb -0.17 -3.79 0.04 0.00 2.01 0.00 0.00 34.83 32.92 1g3i s MET 55 CO -0.07 -0.77 0.35 0.42 -0.01 0.00 0.00 175.02 174.94 1g3i s ILE 56 N 2.90 5.23 -0.18 2.53 1.01 0.24 -1.16 121.20 131.78 1g3i s ILE 56 Ca 0.28 -0.77 -0.34 0.00 0.00 0.00 0.00 60.65 59.83 1g3i s ILE 56 Cb -0.14 -4.01 0.14 0.00 0.01 0.00 0.00 42.46 38.46 1g3i s ILE 56 CO 0.15 -0.42 1.18 -0.83 0.00 0.00 0.00 174.94 175.02 1g3i s GLY 57 N 2.02 -0.27 0.00 6.18 0.00 -0.77 -0.39 107.32 114.09 1g3i s GLY 57 Ca 0.05 1.69 0.00 0.00 0.00 0.00 0.00 44.72 46.46 1g3i s GLY 57 CO 0.09 0.60 0.00 -1.05 0.00 0.00 0.00 173.10 172.75 1g3i n PRO 58 N 0.01 1.58 -3.88 2.90 -0.02 -1.26 -3.75 135.00 130.58 1g3i n PRO 58 Ca -0.01 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.15 1g3i n PRO 58 Cb 0.59 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.94 1g3i n PRO 58 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1g3i s THR 59 N -0.15 2.90 0.00 3.45 2.01 -1.26 -4.58 115.64 118.01 1g3i s THR 59 Ca 0.00 -3.06 0.00 0.00 0.31 0.00 0.00 61.69 58.94 1g3i s THR 59 Cb 0.00 -2.98 0.00 0.00 0.01 0.00 0.00 72.50 69.53 1g3i s THR 59 CO 0.00 -0.79 0.00 0.61 -0.69 0.00 0.00 174.62 173.75 1g3i n GLY 60 N 3.41 0.92 0.00 4.40 0.00 -1.24 -2.71 105.19 109.97 1g3i n GLY 60 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.17 1g3i n GLY 60 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1g3i n VAL 61 N 0.00 0.32 -1.32 1.61 0.24 -1.26 -2.37 118.33 115.54 1g3i n VAL 61 Ca 0.00 0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 1g3i n VAL 61 Cb 0.00 -0.76 0.00 0.00 -1.47 0.00 0.00 33.84 31.61 1g3i n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1g3i n GLY 62 N 0.32 -2.56 0.00 7.63 0.00 -1.26 -4.96 105.19 104.37 1g3i n GLY 62 Ca 0.10 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1g3i n GLY 62 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1g3i n LYS 63 N 0.09 1.29 0.00 1.61 5.02 -1.26 -4.50 118.16 120.42 1g3i n LYS 63 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1g3i n LYS 63 Cb 0.00 -0.99 -0.14 0.00 -0.02 0.00 0.00 35.03 33.88 1g3i n LYS 63 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1g3i h THR 64 N 0.00 0.88 -0.25 -0.18 2.02 -1.98 -3.29 112.91 110.11 1g3i h THR 64 Ca 0.00 -2.66 -0.02 0.00 0.77 0.00 0.00 66.41 64.50 1g3i h THR 64 Cb 0.30 2.52 -0.01 0.00 -1.74 0.00 0.00 68.15 69.21 1g3i h THR 64 CO 0.00 0.67 0.09 -0.33 0.37 0.00 0.00 175.52 176.32 1g3i h GLU 65 N 0.03 0.37 0.00 6.66 4.39 -1.97 0.16 114.58 124.22 1g3i h GLU 65 Ca -0.30 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1g3i h GLU 65 Cb 2.01 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.60 1g3i h GLU 65 CO 0.10 0.42 0.00 -0.89 -1.16 0.00 0.00 179.01 177.48 1g3i n ILE 66 N -4.78 0.96 -0.03 3.13 5.41 -1.26 -0.66 119.36 122.14 1g3i n ILE 66 Ca -0.03 0.43 0.07 0.00 1.00 0.00 0.00 62.75 64.22 1g3i n ILE 66 Cb 0.14 -1.38 -0.16 0.00 -0.71 0.00 0.00 39.64 37.52 1g3i n ILE 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1g3i n ALA 67 N -1.75 2.56 0.07 -1.39 0.00 -0.79 -4.27 120.51 114.94 1g3i n ALA 67 Ca 0.01 -0.65 -0.20 0.00 0.00 0.00 0.00 53.44 52.60 1g3i n ALA 67 Cb 0.15 -0.63 -0.15 0.00 0.00 0.00 0.00 19.45 18.82 1g3i n ALA 67 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1g3i h ARG 68 N 0.00 0.33 -1.71 0.00 2.43 -0.04 -3.27 114.38 112.13 1g3i h ARG 68 Ca -0.10 -0.56 -0.15 0.00 -0.81 0.00 0.00 59.98 58.36 1g3i h ARG 68 Cb 1.20 0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 30.89 1g3i h ARG 68 CO 0.01 1.22 0.20 0.54 -1.51 0.00 0.00 179.97 180.42 1g3i n ARG 69 N -3.53 1.38 -0.03 0.20 5.12 0.16 -2.07 116.66 117.90 1g3i n ARG 69 Ca -0.19 -0.76 0.00 0.00 -1.93 0.00 0.00 57.85 54.97 1g3i n ARG 69 Cb 1.06 -1.30 0.00 0.00 -1.16 0.00 0.00 32.46 31.07 1g3i n ARG 69 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1g3i n LEU 70 N 0.88 0.00 0.00 0.55 7.94 -1.23 -4.54 117.00 120.60 1g3i n LEU 70 Ca 0.15 -0.11 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1g3i n LEU 70 Cb 0.55 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.50 1g3i n LEU 70 CO 0.18 0.07 -0.48 0.00 -1.11 0.00 0.00 177.39 176.05 1g3i n ALA 71 N 0.00 2.05 0.08 1.96 0.00 -0.88 -4.54 120.51 119.18 1g3i n ALA 71 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1g3i n ALA 71 Cb 0.51 0.48 -0.04 0.00 0.00 0.00 0.00 19.45 20.40 1g3i n ALA 71 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1g3i h LYS 72 N 0.00 0.00 -1.87 0.00 1.79 -1.86 -0.58 116.57 114.05 1g3i h LYS 72 Ca 0.00 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.78 1g3i h LYS 72 Cb 0.95 0.00 -0.34 0.00 -1.58 0.00 0.00 32.23 31.26 1g3i h LYS 72 CO 0.00 0.48 0.22 1.28 -1.08 0.00 0.00 179.45 180.35 1g3i n LEU 73 N -3.11 6.15 0.00 2.94 4.32 -1.26 -4.12 117.00 121.92 1g3i n LEU 73 Ca -0.03 -5.12 0.00 0.00 -0.02 0.00 0.00 56.01 50.84 1g3i n LEU 73 Cb 0.81 -0.80 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 1g3i n LEU 73 CO 0.42 2.03 0.00 0.00 -1.22 0.00 0.00 177.39 178.62 1g3i n ALA 74 N -0.44 0.00 -3.04 -1.18 0.00 -1.25 -4.76 120.51 109.84 1g3i n ALA 74 Ca 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.89 1g3i n ALA 74 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.86 1g3i n ALA 74 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1g3i n ASN 75 N 0.00 -7.01 -3.62 0.00 5.03 -0.26 -4.96 115.26 104.44 1g3i n ASN 75 Ca 0.00 0.99 -0.08 0.00 0.87 0.00 0.00 54.58 56.36 1g3i n ASN 75 Cb 0.00 -1.87 -0.06 0.00 -1.02 0.00 0.00 39.78 36.83 1g3i n ASN 75 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1g3i s ALA 76 N -0.07 -2.00 0.04 5.41 0.00 -1.01 -5.02 121.76 119.11 1g3i s ALA 76 Ca -0.03 1.74 -0.34 0.00 0.00 0.00 0.00 51.96 53.33 1g3i s ALA 76 Cb 0.00 -1.20 -0.13 0.00 0.00 0.00 0.00 23.12 21.80 1g3i s ALA 76 CO 0.07 -0.25 1.72 -2.30 0.00 0.00 0.00 175.76 175.00 1g3i n PRO 77 N 1.38 2.15 -4.36 0.00 -0.02 -1.23 -4.77 135.00 128.15 1g3i n PRO 77 Ca -0.10 0.78 -0.24 0.00 -2.02 0.00 0.00 63.50 61.92 1g3i n PRO 77 Cb 0.57 -2.59 -0.09 0.00 -0.02 0.00 0.00 33.50 31.38 1g3i n PRO 77 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1g3i s PHE 78 N 2.37 2.52 -0.30 6.00 5.36 -1.26 -1.47 117.98 131.21 1g3i s PHE 78 Ca 0.85 -0.27 -0.16 0.00 -0.96 0.00 0.00 56.93 56.40 1g3i s PHE 78 Cb -0.69 -1.12 0.17 0.00 -0.34 0.00 0.00 43.02 41.04 1g3i s PHE 78 CO 0.44 0.64 1.06 -1.50 -1.46 0.00 0.00 175.22 174.40 1g3i s ILE 79 N -2.31 -0.27 -0.12 3.12 1.10 -1.13 -4.84 121.20 116.74 1g3i s ILE 79 Ca 0.30 0.00 -0.04 0.00 -0.51 0.00 0.00 60.65 60.40 1g3i s ILE 79 Cb -0.06 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.51 1g3i s ILE 79 CO 0.17 0.00 0.05 -0.75 -2.11 0.00 0.00 174.94 172.30 1g3i s LYS 80 N 2.00 3.32 0.04 3.50 2.20 -1.26 -0.91 119.74 128.63 1g3i s LYS 80 Ca -0.04 -0.33 0.04 0.00 -0.36 0.00 0.00 55.97 55.28 1g3i s LYS 80 Cb -0.04 -2.98 -0.02 0.00 -1.51 0.00 0.00 37.83 33.28 1g3i s LYS 80 CO -0.16 0.62 -0.13 0.14 -0.36 0.00 0.00 175.35 175.46 1g3i s VAL 81 N -0.62 1.03 -0.41 4.02 -7.23 0.11 -4.97 120.40 112.34 1g3i s VAL 81 Ca 0.11 -1.01 -0.04 0.00 -1.81 0.00 0.00 61.98 59.23 1g3i s VAL 81 Cb -0.12 -0.95 0.10 0.00 0.56 0.00 0.00 36.38 35.97 1g3i s VAL 81 CO 0.02 -0.05 0.21 -0.70 -0.31 0.00 0.00 175.10 174.27 1g3i s GLU 82 N -1.20 2.20 -0.27 4.82 2.56 -1.26 -1.26 118.70 124.28 1g3i s GLU 82 Ca 0.00 -1.70 -0.34 0.00 0.00 0.00 0.00 54.97 52.94 1g3i s GLU 82 Cb -0.08 -3.61 -0.10 0.00 2.00 0.00 0.00 34.13 32.34 1g3i s GLU 82 CO 0.01 -1.02 2.12 0.00 -0.56 0.00 0.00 175.26 175.81 1g3i n ALA 83 N 4.68 1.13 0.00 6.30 0.00 -1.26 -5.06 120.51 126.31 1g3i n ALA 83 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1g3i n ALA 83 Cb 0.42 -2.60 0.00 0.00 0.00 0.00 0.00 19.45 17.27 1g3i n ALA 83 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1g3i n GLU 95 N 7.89 0.00 -0.11 0.00 4.07 -1.26 -5.10 120.64 126.12 1g3i n GLU 95 Ca 0.35 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 57.28 1g3i n GLU 95 Cb 0.28 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.56 1g3i n GLU 95 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1g3i n VAL 96 N 0.00 1.28 0.30 6.31 0.31 -1.26 -4.50 118.33 120.77 1g3i n VAL 96 Ca 0.00 -0.47 0.16 0.00 -0.01 0.00 0.00 64.34 64.02 1g3i n VAL 96 Cb 0.00 -1.36 0.62 0.00 -0.91 0.00 0.00 33.84 32.19 1g3i n VAL 96 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1g3i h ASP 97 N -0.11 0.00 0.00 4.52 3.32 -2.03 -3.05 116.42 119.08 1g3i h ASP 97 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1g3i h ASP 97 Cb 1.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.29 1g3i h ASP 97 CO -0.11 0.00 0.09 -1.54 -1.72 0.00 0.00 179.24 175.96 1g3i n SER 98 N -2.92 0.39 0.18 6.45 3.41 -1.26 0.74 113.62 120.61 1g3i n SER 98 Ca 0.01 0.64 0.05 0.00 -0.26 0.00 0.00 58.87 59.32 1g3i n SER 98 Cb 0.31 -0.67 0.30 0.00 -0.26 0.00 0.00 64.21 63.89 1g3i n SER 98 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1g3i h ILE 99 N 0.00 0.88 0.00 -1.33 2.04 -1.84 -2.48 117.51 114.78 1g3i h ILE 99 Ca 0.00 -1.60 -0.27 0.00 1.00 0.00 0.00 64.86 63.99 1g3i h ILE 99 Cb 0.19 1.99 -0.04 0.00 -0.74 0.00 0.00 36.82 38.22 1g3i h ILE 99 CO 0.00 0.38 -1.46 -0.38 0.00 0.00 0.00 178.15 176.69 1g3i n ILE 100 N -3.49 1.54 -0.08 -0.67 2.08 0.23 -3.22 119.36 115.75 1g3i n ILE 100 Ca 0.00 -0.09 0.25 0.00 0.56 0.00 0.00 62.75 63.47 1g3i n ILE 100 Cb 0.54 -2.01 0.72 0.00 -0.75 0.00 0.00 39.64 38.13 1g3i n ILE 100 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1g3i h ARG 101 N -0.97 0.00 0.00 0.38 2.43 -1.41 0.39 114.38 115.19 1g3i h ARG 101 Ca -0.40 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.75 1g3i h ARG 101 Cb 1.37 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1g3i h ARG 101 CO -0.23 0.00 -1.22 -0.25 -1.51 0.00 0.00 179.97 176.76 1g3i n ASP 102 N -4.06 0.70 0.19 -3.80 10.43 -0.93 -3.25 116.55 115.83 1g3i n ASP 102 Ca 0.14 0.27 0.06 0.00 2.57 0.00 0.00 54.79 57.84 1g3i n ASP 102 Cb 0.84 0.70 0.35 0.00 1.84 0.00 0.00 41.12 44.85 1g3i n ASP 102 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 1g3i h LEU 103 N 0.00 0.00 0.11 0.64 5.85 -0.22 -2.91 115.31 118.77 1g3i h LEU 103 Ca -0.02 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.41 1g3i h LEU 103 Cb 1.05 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1g3i h LEU 103 CO 0.00 0.35 -1.43 0.74 -0.34 0.00 0.00 178.44 177.76 1g3i h THR 104 N 0.00 1.26 0.00 1.05 2.02 -1.46 -3.27 112.91 112.51 1g3i h THR 104 Ca -0.00 -2.90 0.00 0.00 0.77 0.00 0.00 66.41 64.28 1g3i h THR 104 Cb 0.88 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 70.08 1g3i h THR 104 CO 0.05 0.83 0.00 0.47 0.37 0.00 0.00 175.52 177.24 1g3i n ASP 105 N -3.44 0.00 -0.57 4.18 9.92 -1.11 -1.80 116.55 123.73 1g3i n ASP 105 Ca -0.13 0.03 0.07 0.00 -0.53 0.00 0.00 54.79 54.23 1g3i n ASP 105 Cb 1.03 -0.28 0.20 0.00 -0.64 0.00 0.00 41.12 41.43 1g3i n ASP 105 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1g3i n SER 106 N -1.28 2.91 -0.00 -2.24 2.88 -1.15 -4.36 113.62 110.38 1g3i n SER 106 Ca 0.08 -3.22 0.03 0.00 -1.33 0.00 0.00 58.87 54.43 1g3i n SER 106 Cb 0.13 -0.51 -0.04 0.00 -0.75 0.00 0.00 64.21 63.04 1g3i n SER 106 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g3i n ALA 107 N -1.01 2.33 -0.89 -1.46 0.00 -0.74 -4.58 120.51 114.15 1g3i n ALA 107 Ca 0.21 -0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.40 1g3i n ALA 107 Cb 0.79 -0.19 -0.07 0.00 0.00 0.00 0.00 19.45 19.98 1g3i n ALA 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1g3i n MET 108 N -1.54 1.70 0.00 0.00 2.81 -1.24 -2.58 117.12 116.28 1g3i n MET 108 Ca -0.00 -0.92 0.00 0.00 -1.81 0.00 0.00 57.70 54.96 1g3i n MET 108 Cb 0.13 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 30.99 1g3i n MET 108 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1g3i n LYS 109 N 1.70 0.54 -0.11 0.03 5.02 -1.26 -4.52 118.16 119.56 1g3i n LYS 109 Ca 0.28 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.64 1g3i n LYS 109 Cb 0.69 -0.04 0.10 0.00 -0.02 0.00 0.00 35.03 35.76 1g3i n LYS 109 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1g3i n LEU 110 N 0.00 1.98 0.00 -0.35 4.77 -1.07 -4.03 117.00 118.30 1g3i n LEU 110 Ca 0.00 -2.63 0.00 0.00 -0.03 0.00 0.00 56.01 53.35 1g3i n LEU 110 Cb 0.00 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1g3i n LEU 110 CO 0.00 0.61 -0.04 0.52 -1.33 0.00 0.00 177.39 177.15 1g3i n VAL 111 N -1.11 0.00 -1.71 4.08 0.31 -1.22 -4.49 118.33 114.19 1g3i n VAL 111 Ca 0.12 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.31 1g3i n VAL 111 Cb 0.59 -0.08 0.11 0.00 -0.91 0.00 0.00 33.84 33.55 1g3i n VAL 111 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1g3i n ARG 112 N -0.76 2.63 0.00 5.55 0.63 -1.26 -3.14 116.66 120.30 1g3i n ARG 112 Ca 0.00 -3.64 0.00 0.00 -0.92 0.00 0.00 57.85 53.29 1g3i n ARG 112 Cb 0.04 -2.02 0.00 0.00 0.45 0.00 0.00 32.46 30.93 1g3i n ARG 112 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1g3i n GLN 113 N -0.93 0.00 0.00 -0.14 7.27 -1.26 -4.78 117.38 117.54 1g3i n GLN 113 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.45 1g3i n GLN 113 Cb 0.90 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.55 1g3i n GLN 113 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1g3i n GLN 114 N 0.00 4.44 -0.19 3.69 7.27 -1.26 -4.53 117.38 126.80 1g3i n GLN 114 Ca 0.00 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.14 1g3i n GLN 114 Cb 0.13 -0.50 0.11 0.00 2.41 0.00 0.00 30.24 32.39 1g3i n GLN 114 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1g3i n GLU 115 N -0.85 0.97 0.00 3.69 1.02 -1.19 -3.53 120.64 120.75 1g3i n GLU 115 Ca 0.00 -2.21 0.00 0.00 -0.02 0.00 0.00 57.16 54.93 1g3i n GLU 115 Cb 0.00 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 1g3i n GLU 115 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1g3i n ILE 116 N -1.07 0.00 0.09 -3.67 3.06 -1.26 -3.83 119.36 112.68 1g3i n ILE 116 Ca 0.12 -0.21 0.02 0.00 -2.50 0.00 0.00 62.75 60.18 1g3i n ILE 116 Cb 0.66 0.70 -0.03 0.00 0.54 0.00 0.00 39.64 41.52 1g3i n ILE 116 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1g3i n ALA 117 N -1.18 2.32 -0.11 1.51 0.00 -1.26 -4.56 120.51 117.22 1g3i n ALA 117 Ca 0.00 -0.10 -0.18 0.00 0.00 0.00 0.00 53.44 53.16 1g3i n ALA 117 Cb 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.25 1g3i n ALA 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1g3i n LYS 118 N -1.35 0.55 -2.50 0.00 0.00 -1.23 -4.60 118.16 109.02 1g3i n LYS 118 Ca 0.00 0.29 -0.42 0.00 0.00 0.00 0.00 58.31 58.17 1g3i n LYS 118 Cb 0.08 -1.50 0.01 0.00 0.00 0.00 0.00 35.03 33.61 1g3i n LYS 118 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1g3i n ASN 119 N -4.39 5.68 -3.75 3.14 2.85 -1.25 -5.03 115.26 112.51 1g3i n ASN 119 Ca -0.31 -3.21 -0.13 0.00 -0.11 0.00 0.00 54.58 50.81 1g3i n ASN 119 Cb 0.66 -1.41 -0.09 0.00 1.24 0.00 0.00 39.78 40.19 1g3i n ASN 119 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1g3i s ARG 120 N -0.70 0.63 0.11 1.20 1.04 -1.26 -4.59 118.95 115.38 1g3i s ARG 120 Ca 0.38 -0.08 0.00 0.00 -1.04 0.00 0.00 55.73 54.99 1g3i s ARG 120 Cb 0.09 0.28 0.00 0.00 -2.04 0.00 0.00 34.95 33.29 1g3i s ARG 120 CO 0.03 -0.16 0.00 0.36 -0.04 0.00 0.00 175.30 175.48 1g3i n LYS 233 N 1.52 -0.69 -0.75 3.89 2.85 -1.26 -5.10 118.16 118.62 1g3i n LYS 233 Ca -0.20 0.52 -0.02 0.00 -1.05 0.00 0.00 58.31 57.56 1g3i n LYS 233 Cb 0.56 -0.82 -0.01 0.00 -0.65 0.00 0.00 35.03 34.11 1g3i n LYS 233 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1g3i n LEU 234 N -2.86 0.47 0.00 -5.58 7.94 -1.26 -4.84 117.00 110.87 1g3i n LEU 234 Ca -0.01 0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1g3i n LEU 234 Cb 0.15 -1.87 0.00 0.00 0.53 0.00 0.00 43.42 42.23 1g3i n LEU 234 CO 0.01 -0.68 0.00 -0.38 -1.11 0.00 0.00 177.39 175.23 1g3i n ILE 235 N -1.41 0.00 -3.85 1.96 5.41 -1.26 -4.87 119.36 115.35 1g3i n ILE 235 Ca -0.02 0.27 -0.31 0.00 1.00 0.00 0.00 62.75 63.69 1g3i n ILE 235 Cb 0.35 -0.89 0.01 0.00 -0.71 0.00 0.00 39.64 38.40 1g3i n ILE 235 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1g3i n ASN 236 N 0.00 -4.75 -0.07 4.38 5.03 -1.26 -4.75 115.26 113.84 1g3i n ASN 236 Ca 0.00 -1.05 -0.07 0.00 0.87 0.00 0.00 54.58 54.33 1g3i n ASN 236 Cb 0.00 -1.87 -0.01 0.00 -1.02 0.00 0.00 39.78 36.88 1g3i n ASN 236 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 1g3i h PRO 237 N -1.08 -0.01 0.00 3.52 0.11 -1.97 0.24 132.00 132.81 1g3i h PRO 237 Ca -0.64 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.47 1g3i h PRO 237 Cb 1.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.50 1g3i h PRO 237 CO 0.42 -0.01 0.39 0.93 -0.21 0.00 0.00 178.00 179.52 1g3i h GLU 238 N -0.01 0.00 0.10 1.05 4.39 -1.99 0.60 114.58 118.72 1g3i h GLU 238 Ca 0.13 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.47 1g3i h GLU 238 Cb 0.21 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1g3i h GLU 238 CO -0.28 0.00 -2.01 -1.91 -1.16 0.00 0.00 179.01 173.65 1g3i n GLU 239 N -2.04 0.73 -0.42 2.33 4.07 0.78 -4.32 120.64 121.76 1g3i n GLU 239 Ca -0.01 0.28 0.07 0.00 -0.06 0.00 0.00 57.16 57.43 1g3i n GLU 239 Cb 0.40 -1.68 0.25 0.00 -0.06 0.00 0.00 31.44 30.35 1g3i n GLU 239 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1g3i n LEU 240 N -3.56 3.39 -1.24 4.31 4.32 0.20 -4.01 117.00 120.41 1g3i n LEU 240 Ca -0.34 -1.71 0.05 0.00 -0.02 0.00 0.00 56.01 53.98 1g3i n LEU 240 Cb 1.00 -0.47 0.23 0.00 -1.62 0.00 0.00 43.42 42.56 1g3i n LEU 240 CO 0.38 0.60 0.62 0.29 -1.22 0.00 0.00 177.39 178.06 1g3i n LYS 241 N 0.72 3.10 -0.54 3.23 5.02 -0.47 -3.12 118.16 126.11 1g3i n LYS 241 Ca 0.18 -1.80 -0.00 0.00 -2.02 0.00 0.00 58.31 54.66 1g3i n LYS 241 Cb 0.64 -1.86 -0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1g3i n LYS 241 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1g3i n GLN 242 N 0.43 0.00 0.00 1.97 -0.06 -1.26 -4.68 117.38 113.78 1g3i n GLN 242 Ca 0.16 -0.28 0.00 0.00 -2.00 0.00 0.00 57.00 54.88 1g3i n GLN 242 Cb 0.74 -0.07 0.00 0.00 -4.06 0.00 0.00 30.24 26.85 1g3i n GLN 242 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1g3i n LYS 243 N 0.01 2.79 0.03 3.69 3.00 -1.22 -4.02 118.16 122.43 1g3i n LYS 243 Ca -0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.12 1g3i n LYS 243 Cb 0.56 -0.98 -0.14 0.00 0.00 0.00 0.00 35.03 34.47 1g3i n LYS 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1g3i h ALA 244 N 0.00 0.42 0.01 3.14 0.00 -1.86 -3.32 119.26 117.65 1g3i h ALA 244 Ca 0.00 -1.29 -0.25 0.00 0.00 0.00 0.00 54.91 53.37 1g3i h ALA 244 Cb 0.68 0.50 0.01 0.00 0.00 0.00 0.00 17.79 18.98 1g3i h ALA 244 CO 0.00 1.28 -1.01 0.82 0.00 0.00 0.00 179.25 180.34 1g3i h ILE 245 N 0.06 1.35 -0.02 0.00 2.04 -1.83 -2.52 117.51 116.59 1g3i h ILE 245 Ca -0.33 -2.39 0.01 0.00 1.00 0.00 0.00 64.86 63.14 1g3i h ILE 245 Cb 2.03 2.44 -0.00 0.00 -0.74 0.00 0.00 36.82 40.55 1g3i h ILE 245 CO 0.12 0.72 0.06 0.44 0.00 0.00 0.00 178.15 179.50 1g3i h ASP 246 N 0.29 0.00 0.07 1.72 5.19 -1.71 0.19 116.42 122.17 1g3i h ASP 246 Ca -0.11 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1g3i h ASP 246 Cb 1.66 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.17 1g3i h ASP 246 CO 0.19 0.00 -0.03 0.00 -3.12 0.00 0.00 179.24 176.27 1g3i h ALA 247 N 1.89 -0.13 0.13 3.45 0.00 -1.59 -3.30 119.26 119.71 1g3i h ALA 247 Ca 0.01 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1g3i h ALA 247 Cb 0.14 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1g3i h ALA 247 CO -0.00 -0.12 -0.38 0.28 0.00 0.00 0.00 179.25 179.03 1g3i h VAL 248 N -0.69 0.22 -1.43 0.00 2.07 -1.05 2.81 116.25 118.18 1g3i h VAL 248 Ca -0.01 0.00 0.47 0.00 0.82 0.00 0.00 66.70 67.98 1g3i h VAL 248 Cb 0.07 0.22 -0.13 0.00 -1.52 0.00 0.00 31.29 29.93 1g3i h VAL 248 CO 0.02 0.00 0.94 -0.33 0.02 0.00 0.00 177.57 178.21 1g3i h GLU 249 N -0.62 0.04 0.00 1.57 5.08 -0.82 -3.06 114.58 116.76 1g3i h GLU 249 Ca 0.02 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1g3i h GLU 249 Cb 0.64 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1g3i h GLU 249 CO -0.21 0.02 -0.89 0.94 -1.00 0.00 0.00 179.01 177.87 1g3i n GLN 250 N -4.62 0.33 -2.90 2.33 -0.06 -0.79 -4.15 117.38 107.53 1g3i n GLN 250 Ca 0.39 0.13 -0.44 0.00 -2.00 0.00 0.00 57.00 55.09 1g3i n GLN 250 Cb 1.56 -1.08 -0.02 0.00 -4.06 0.00 0.00 30.24 26.64 1g3i n GLN 250 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 1g3i s ASN 251 N -6.07 6.64 -0.10 1.69 0.01 0.93 -4.59 114.94 113.45 1g3i s ASN 251 Ca -0.19 -2.04 -0.05 0.00 -0.71 0.00 0.00 52.86 49.88 1g3i s ASN 251 Cb 0.04 -2.41 0.05 0.00 0.41 0.00 0.00 41.25 39.33 1g3i s ASN 251 CO 0.27 -1.09 0.23 -0.83 -1.51 0.00 0.00 177.10 174.17 1g3i s GLY 252 N 3.71 -0.11 -0.18 0.66 0.00 -1.22 -3.51 107.32 106.66 1g3i s GLY 252 Ca 0.34 0.92 0.01 0.00 0.00 0.00 0.00 44.72 45.99 1g3i s GLY 252 CO -0.09 1.31 -0.11 -0.42 0.00 0.00 0.00 173.10 173.78 1g3i s ILE 253 N 1.41 1.60 -0.15 0.90 1.01 -0.54 -0.01 121.20 125.42 1g3i s ILE 253 Ca -0.08 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 59.65 1g3i s ILE 253 Cb -0.11 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 1g3i s ILE 253 CO -0.08 0.26 -0.01 -0.69 0.00 0.00 0.00 174.94 174.42 1g3i s VAL 254 N 1.43 4.15 -0.17 2.92 1.01 0.12 -2.85 120.40 127.00 1g3i s VAL 254 Ca 0.01 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1g3i s VAL 254 Cb -0.15 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.42 1g3i s VAL 254 CO -0.09 0.50 -0.19 0.12 0.00 0.00 0.00 175.10 175.45 1g3i s PHE 255 N 0.19 2.77 -0.58 5.22 5.36 -0.09 -0.06 117.98 130.80 1g3i s PHE 255 Ca -0.00 -1.43 -0.05 0.00 -0.96 0.00 0.00 56.93 54.49 1g3i s PHE 255 Cb -0.13 -1.90 0.15 0.00 -0.34 0.00 0.00 43.02 40.79 1g3i s PHE 255 CO 0.02 -0.69 0.41 0.42 -1.46 0.00 0.00 175.22 173.92 1g3i s ILE 256 N 1.12 3.90 0.50 3.12 1.01 -0.08 0.04 121.20 130.81 1g3i s ILE 256 Ca 0.01 -2.55 -0.20 0.00 0.00 0.00 0.00 60.65 57.91 1g3i s ILE 256 Cb -0.14 -3.55 -0.07 0.00 0.01 0.00 0.00 42.46 38.70 1g3i s ILE 256 CO -0.08 -0.84 1.08 -0.62 0.00 0.00 0.00 174.94 174.48 1g3i s ASP 257 N 1.38 6.12 -0.35 3.58 2.15 -0.39 -0.94 116.67 128.21 1g3i s ASP 257 Ca 0.14 2.05 -0.31 0.00 0.43 0.00 0.00 52.55 54.85 1g3i s ASP 257 Cb -0.21 -2.57 0.05 0.00 -0.30 0.00 0.00 42.92 39.89 1g3i s ASP 257 CO -0.04 -0.94 0.52 -0.62 -0.17 0.00 0.00 175.17 173.93 1g3i n GLU 258 N -1.03 -1.60 -0.05 4.34 -0.58 -0.93 -4.01 120.64 116.78 1g3i n GLU 258 Ca 0.10 1.30 -0.16 0.00 -0.42 0.00 0.00 57.16 57.99 1g3i n GLU 258 Cb 0.52 -1.87 -0.14 0.00 -0.57 0.00 0.00 31.44 29.37 1g3i n GLU 258 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1g3i n ILE 259 N 0.13 1.60 -0.39 -3.67 3.06 -0.54 -4.25 119.36 115.32 1g3i n ILE 259 Ca -0.07 -0.70 0.34 0.00 -2.50 0.00 0.00 62.75 59.83 1g3i n ILE 259 Cb 0.64 -1.29 0.61 0.00 0.54 0.00 0.00 39.64 40.15 1g3i n ILE 259 CO 0.00 0.00 0.00 -2.24 -2.50 0.00 0.00 176.55 171.81 1g3i h ASP 260 N 0.03 0.29 0.00 9.51 2.03 -1.92 0.46 116.42 126.83 1g3i h ASP 260 Ca -0.46 0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.05 1g3i h ASP 260 Cb 2.03 0.20 0.00 0.00 -0.83 0.00 0.00 39.33 40.73 1g3i h ASP 260 CO 0.03 -0.31 0.06 0.29 -1.03 0.00 0.00 179.24 178.28 1g3i n LYS 261 N -4.99 0.00 -0.46 4.15 4.76 -1.26 -0.70 118.16 119.66 1g3i n LYS 261 Ca 0.38 0.13 0.07 0.00 -2.87 0.00 0.00 58.31 56.02 1g3i n LYS 261 Cb 1.36 -1.56 0.15 0.00 -1.84 0.00 0.00 35.03 33.14 1g3i n LYS 261 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1g3i n ILE 262 N -1.03 1.72 -3.97 -0.18 -5.35 0.16 -5.00 119.36 105.71 1g3i n ILE 262 Ca 0.00 -2.42 -0.27 0.00 -0.27 0.00 0.00 62.75 59.79 1g3i n ILE 262 Cb 0.06 -0.07 -0.04 0.00 -1.74 0.00 0.00 39.64 37.85 1g3i n ILE 262 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1g3i s LYS 264 N -3.01 4.13 -0.09 0.00 -2.85 -1.24 -4.95 119.74 111.73 1g3i s LYS 264 Ca 0.34 2.60 -0.07 0.00 -1.00 0.00 0.00 55.97 57.84 1g3i s LYS 264 Cb -0.11 -3.07 0.03 0.00 -2.06 0.00 0.00 37.83 32.61 1g3i s LYS 264 CO 0.27 -0.74 0.13 1.63 0.10 0.00 0.00 175.35 176.74 1g3i n LYS 265 N 3.93 -4.96 0.00 1.78 5.02 -1.26 -4.96 118.16 117.71 1g3i n LYS 265 Ca 0.16 3.66 0.00 0.00 -2.02 0.00 0.00 58.31 60.10 1g3i n LYS 265 Cb 0.35 -4.95 0.00 0.00 -0.02 0.00 0.00 35.03 30.41 1g3i n LYS 265 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1g3i n SER 269 N 1.79 0.00 -0.01 4.39 2.88 -1.26 -4.87 113.62 116.53 1g3i n SER 269 Ca -0.22 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.37 1g3i n SER 269 Cb 0.35 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.71 1g3i n SER 269 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1g3i n GLY 270 N 0.00 -0.55 0.44 0.46 0.00 -1.26 -4.29 105.19 99.99 1g3i n GLY 270 Ca 0.00 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.87 1g3i n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g3i n ALA 271 N -1.94 2.78 -2.92 4.61 0.00 -1.26 -4.47 120.51 117.31 1g3i n ALA 271 Ca -0.03 -0.46 -0.13 0.00 0.00 0.00 0.00 53.44 52.82 1g3i n ALA 271 Cb 0.34 -1.11 -0.00 0.00 0.00 0.00 0.00 19.45 18.67 1g3i n ALA 271 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1g3i n ASP 272 N -0.02 -1.99 0.00 0.00 5.68 -1.26 -4.95 116.55 114.01 1g3i n ASP 272 Ca 0.16 -2.99 0.09 0.00 -0.50 0.00 0.00 54.79 51.54 1g3i n ASP 272 Cb 0.38 0.97 0.54 0.00 -1.14 0.00 0.00 41.12 41.86 1g3i n ASP 272 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1g3i n VAL 273 N 1.93 0.00 0.40 2.12 0.31 -1.26 -3.02 118.33 118.81 1g3i n VAL 273 Ca 0.16 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.58 1g3i n VAL 273 Cb 0.58 -0.60 0.40 0.00 -0.91 0.00 0.00 33.84 33.31 1g3i n VAL 273 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1g3i n SER 274 N -0.93 0.35 0.24 4.52 3.41 -1.26 -1.75 113.62 118.21 1g3i n SER 274 Ca 0.14 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.48 1g3i n SER 274 Cb 0.06 -0.67 0.44 0.00 -0.26 0.00 0.00 64.21 63.79 1g3i n SER 274 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1g3i h ARG 275 N 0.00 0.00 -0.00 4.33 3.08 -1.85 -1.90 114.38 118.03 1g3i h ARG 275 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1g3i h ARG 275 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1g3i h ARG 275 CO 0.00 0.06 -0.78 -1.91 -1.07 0.00 0.00 179.97 176.28 1g3i n GLU 276 N -3.15 0.22 -0.01 0.04 2.13 -0.72 -3.72 120.64 115.43 1g3i n GLU 276 Ca 0.02 -0.17 -0.17 0.00 0.66 0.00 0.00 57.16 57.50 1g3i n GLU 276 Cb 0.42 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.51 1g3i n GLU 276 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1g3i h GLY 277 N 4.97 0.21 1.00 8.31 0.00 -1.22 -2.87 103.07 113.47 1g3i h GLY 277 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1g3i h GLY 277 CO 0.00 0.43 -0.07 -2.08 0.00 0.00 0.00 176.54 174.82 1g3i h VAL 278 N -0.57 0.87 0.00 4.60 2.07 -1.62 0.37 116.25 121.96 1g3i h VAL 278 Ca -0.07 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1g3i h VAL 278 Cb 1.28 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1g3i h VAL 278 CO 0.08 0.00 0.13 1.67 0.02 0.00 0.00 177.57 179.48 1g3i n GLN 279 N -5.17 0.11 -0.11 1.57 7.27 -1.24 -1.32 117.38 118.49 1g3i n GLN 279 Ca -0.08 0.59 -0.24 0.00 0.07 0.00 0.00 57.00 57.34 1g3i n GLN 279 Cb 0.10 -1.99 -0.11 0.00 2.41 0.00 0.00 30.24 30.65 1g3i n GLN 279 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1g3i n ARG 280 N -2.11 0.62 0.02 3.69 3.00 0.44 -4.08 116.66 118.24 1g3i n ARG 280 Ca -0.01 0.31 0.07 0.00 -0.00 0.00 0.00 57.85 58.22 1g3i n ARG 280 Cb 0.16 -1.59 0.31 0.00 0.00 0.00 0.00 32.46 31.34 1g3i n ARG 280 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1g3i n ASP 281 N -3.96 0.11 -1.13 6.15 8.00 1.00 -1.24 116.55 125.47 1g3i n ASP 281 Ca -0.44 0.53 0.11 0.00 0.71 0.00 0.00 54.79 55.70 1g3i n ASP 281 Cb 0.89 -0.55 0.26 0.00 -0.02 0.00 0.00 41.12 41.69 1g3i n ASP 281 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1g3i n LEU 282 N -1.63 3.34 0.01 0.64 7.94 -0.43 -4.26 117.00 122.61 1g3i n LEU 282 Ca 0.03 -1.52 -0.19 0.00 -1.11 0.00 0.00 56.01 53.22 1g3i n LEU 282 Cb 0.16 -0.31 -0.14 0.00 0.53 0.00 0.00 43.42 43.66 1g3i n LEU 282 CO 0.13 0.76 0.09 0.25 -1.11 0.00 0.00 177.39 177.51 1g3i h LEU 283 N 4.08 0.32 -1.85 -1.96 5.85 -1.32 -3.28 115.31 117.16 1g3i h LEU 283 Ca 0.00 -0.95 0.23 0.00 0.84 0.00 0.00 57.88 58.01 1g3i h LEU 283 Cb 0.91 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 1g3i h LEU 283 CO 0.00 1.31 0.60 -0.65 -0.34 0.00 0.00 178.44 179.36 1g3i h PRO 284 N -0.56 0.12 -0.12 5.25 0.11 -1.74 0.14 132.00 135.21 1g3i h PRO 284 Ca -0.12 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.80 1g3i h PRO 284 Cb 1.47 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.56 1g3i h PRO 284 CO 0.09 0.08 -0.64 -0.07 -0.21 0.00 0.00 178.00 177.25 1g3i h LEU 285 N 0.12 0.76 0.00 2.35 4.07 -1.82 0.23 115.31 121.02 1g3i h LEU 285 Ca 0.42 -0.65 0.00 0.00 0.08 0.00 0.00 57.88 57.74 1g3i h LEU 285 Cb 1.48 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.99 1g3i h LEU 285 CO -0.06 1.29 -0.00 -0.37 -1.08 0.00 0.00 178.44 178.22 1g3i h VAL 286 N 0.29 0.00 0.00 1.22 -1.51 -1.35 -3.35 116.25 111.56 1g3i h VAL 286 Ca -0.05 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 1g3i h VAL 286 Cb 1.28 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 32.20 1g3i h VAL 286 CO 0.13 0.00 -0.08 -0.33 -1.23 0.00 0.00 177.57 176.06 1g3i h GLU 287 N 0.00 0.00 0.00 5.19 5.08 -0.74 -3.49 114.58 120.62 1g3i h GLU 287 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1g3i h GLU 287 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1g3i h GLU 287 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1g3i n GLY 288 N 1.82 2.13 0.00 -3.84 0.00 0.06 -4.63 105.19 100.74 1g3i n GLY 288 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1g3i n GLY 288 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1g3i n SER 289 N 0.00 0.00 -3.88 1.61 2.88 -1.19 -4.86 113.62 108.17 1g3i n SER 289 Ca 0.00 -0.97 -0.30 0.00 -1.33 0.00 0.00 58.87 56.27 1g3i n SER 289 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 1g3i n SER 289 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1g3i s THR 290 N -2.09 1.51 0.10 2.46 2.01 -1.26 -2.66 115.64 115.71 1g3i s THR 290 Ca 0.00 -1.63 -0.24 0.00 0.31 0.00 0.00 61.69 60.13 1g3i s THR 290 Cb 0.00 -2.01 -0.07 0.00 0.01 0.00 0.00 72.50 70.43 1g3i s THR 290 CO 0.00 -0.47 0.73 -0.69 -0.69 0.00 0.00 174.62 173.50 1g3i s VAL 291 N 1.33 4.57 -0.69 3.82 1.01 -0.91 -4.89 120.40 124.64 1g3i s VAL 291 Ca 0.05 1.58 -0.16 0.00 0.00 0.00 0.00 61.98 63.45 1g3i s VAL 291 Cb -0.18 -4.08 0.16 0.00 0.00 0.00 0.00 36.38 32.27 1g3i s VAL 291 CO -0.14 0.47 0.70 -0.94 0.00 0.00 0.00 175.10 175.20 1g3i s SER 292 N -0.73 6.44 0.69 3.32 1.04 -1.26 -1.72 113.70 121.47 1g3i s SER 292 Ca 0.35 -2.07 -0.03 0.00 0.48 0.00 0.00 55.95 54.68 1g3i s SER 292 Cb -0.21 -2.25 0.09 0.00 0.10 0.00 0.00 66.02 63.75 1g3i s SER 292 CO 0.23 -0.83 0.97 0.42 0.98 0.00 0.00 173.24 175.01 1g3i s THR 293 N 1.41 2.31 -0.05 2.02 -4.23 -0.89 -4.95 115.64 111.26 1g3i s THR 293 Ca 0.13 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 1g3i s THR 293 Cb -0.19 -2.85 0.07 0.00 1.34 0.00 0.00 72.50 70.87 1g3i s THR 293 CO -0.02 0.00 1.16 2.29 -0.54 0.00 0.00 174.62 177.51 1g3i n LYS 294 N -2.81 1.14 0.00 3.99 2.85 -1.26 -2.47 118.16 119.60 1g3i n LYS 294 Ca 0.11 -0.33 0.00 0.00 -1.05 0.00 0.00 58.31 57.04 1g3i n LYS 294 Cb 0.60 -1.13 0.00 0.00 -0.65 0.00 0.00 35.03 33.85 1g3i n LYS 294 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1g3i n HIS 295 N 0.39 0.00 0.00 5.58 8.25 -1.26 -5.15 115.22 123.03 1g3i n HIS 295 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 1g3i n HIS 295 Cb 0.62 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.73 1g3i n HIS 295 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1g3i n GLY 296 N 0.20 0.98 3.66 -1.41 0.00 -1.03 -4.89 105.19 102.69 1g3i n GLY 296 Ca 0.00 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 1g3i n GLY 296 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1g3i s MET 297 N -1.56 4.28 -0.19 1.61 1.00 -1.26 -2.10 119.30 121.07 1g3i s MET 297 Ca 0.00 1.13 -0.02 0.00 0.00 0.00 0.00 55.69 56.80 1g3i s MET 297 Cb 0.00 -3.60 -0.01 0.00 0.00 0.00 0.00 34.83 31.22 1g3i s MET 297 CO 0.00 -0.45 -0.08 0.54 0.00 0.00 0.00 175.02 175.03 1g3i s VAL 298 N 2.56 3.15 0.78 -6.03 0.11 -0.70 -4.98 120.40 115.28 1g3i s VAL 298 Ca 0.40 -0.58 -0.11 0.00 -2.93 0.00 0.00 61.98 58.75 1g3i s VAL 298 Cb -0.16 -2.39 0.06 0.00 -1.53 0.00 0.00 36.38 32.35 1g3i s VAL 298 CO 0.10 0.46 1.10 -0.75 -3.33 0.00 0.00 175.10 172.68 1g3i s LYS 299 N 1.16 2.25 0.00 1.54 2.20 -1.26 -2.14 119.74 123.49 1g3i s LYS 299 Ca 0.02 0.60 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 1g3i s LYS 299 Cb -0.14 -1.94 0.00 0.00 -1.51 0.00 0.00 37.83 34.23 1g3i s LYS 299 CO -0.02 -1.49 0.00 0.25 -0.36 0.00 0.00 175.35 173.72 1g3i n THR 300 N -3.34 0.00 -0.09 3.43 -2.24 -1.09 -4.52 114.28 106.43 1g3i n THR 300 Ca 0.07 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.92 1g3i n THR 300 Cb 0.56 -0.60 0.13 0.00 -2.10 0.00 0.00 70.33 68.33 1g3i n THR 300 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1g3i n ASP 301 N -1.65 0.05 -0.95 3.42 9.92 -1.26 0.18 116.55 126.26 1g3i n ASP 301 Ca 0.00 0.46 0.11 0.00 -0.53 0.00 0.00 54.79 54.84 1g3i n ASP 301 Cb 0.34 -0.21 0.26 0.00 -0.64 0.00 0.00 41.12 40.87 1g3i n ASP 301 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1g3i n HIS 302 N -3.82 0.39 -0.81 1.24 8.25 -1.26 -4.46 115.22 114.76 1g3i n HIS 302 Ca 0.09 -0.19 -0.31 0.00 -0.26 0.00 0.00 57.72 57.05 1g3i n HIS 302 Cb 0.31 0.00 0.27 0.00 1.12 0.00 0.00 29.99 31.68 1g3i n HIS 302 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1g3i s ILE 303 N -1.61 1.35 -0.10 1.59 1.01 0.48 -4.78 121.20 119.13 1g3i s ILE 303 Ca 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 60.65 61.00 1g3i s ILE 303 Cb 0.21 -2.34 0.03 0.00 0.01 0.00 0.00 42.46 40.36 1g3i s ILE 303 CO 0.30 0.00 -0.05 -0.22 0.00 0.00 0.00 174.94 174.97 1g3i s LEU 304 N -7.37 1.02 -0.09 2.97 1.98 0.98 -4.68 118.68 113.49 1g3i s LEU 304 Ca 0.71 -0.25 -0.02 0.00 -2.89 0.00 0.00 54.13 51.68 1g3i s LEU 304 Cb -0.09 -0.72 -0.03 0.00 0.66 0.00 0.00 46.19 46.01 1g3i s LEU 304 CO 0.56 -0.15 -0.01 -0.36 -1.89 0.00 0.00 176.35 174.51 1g3i s PHE 305 N 1.79 3.13 -0.16 5.38 0.40 -1.26 0.11 117.98 127.37 1g3i s PHE 305 Ca 0.05 0.15 -0.02 0.00 -0.60 0.00 0.00 56.93 56.51 1g3i s PHE 305 Cb -0.13 -1.79 0.05 0.00 0.51 0.00 0.00 43.02 41.66 1g3i s PHE 305 CO -0.07 0.42 0.01 0.42 0.70 0.00 0.00 175.22 176.70 1g3i s ILE 306 N -0.79 0.60 -0.18 0.64 1.01 0.91 -1.35 121.20 122.04 1g3i s ILE 306 Ca 0.12 -0.44 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 1g3i s ILE 306 Cb -0.11 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 1g3i s ILE 306 CO 0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 174.94 174.90 1g3i s ALA 307 N 1.84 3.06 0.08 9.38 0.00 -0.35 -0.90 121.76 134.87 1g3i s ALA 307 Ca 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.06 1g3i s ALA 307 Cb -0.16 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 1g3i s ALA 307 CO -0.07 -0.00 0.22 -1.54 0.00 0.00 0.00 175.76 174.37 1g3i s SER 308 N 0.74 6.33 -0.27 0.00 1.04 -0.11 0.26 113.70 121.68 1g3i s SER 308 Ca -0.00 0.24 -0.25 0.00 0.48 0.00 0.00 55.95 56.41 1g3i s SER 308 Cb -0.14 -1.93 0.13 0.00 0.10 0.00 0.00 66.02 64.18 1g3i s SER 308 CO 0.02 0.14 1.07 -0.83 0.98 0.00 0.00 173.24 174.62 1g3i s GLY 309 N -2.68 -0.12 0.12 7.32 0.00 -0.31 -1.46 107.32 110.20 1g3i s GLY 309 Ca 0.35 2.70 0.01 0.00 0.00 0.00 0.00 44.72 47.77 1g3i s GLY 309 CO 0.28 1.78 1.27 0.00 0.00 0.00 0.00 173.10 176.42 1g3i h ALA 310 N 3.97 0.32 -6.86 3.20 0.00 -1.84 -2.04 119.26 116.00 1g3i h ALA 310 Ca -0.27 -0.83 -0.57 0.00 0.00 0.00 0.00 54.91 53.24 1g3i h ALA 310 Cb 1.18 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 1g3i h ALA 310 CO 0.13 1.01 -0.94 1.19 0.00 0.00 0.00 179.25 180.64 1g3i n PHE 311 N -3.54 -1.41 0.02 0.00 0.99 -1.26 -4.52 117.46 107.73 1g3i n PHE 311 Ca -0.05 0.66 -0.22 0.00 -0.00 0.00 0.00 57.45 57.85 1g3i n PHE 311 Cb 0.92 -3.16 -0.14 0.00 -1.00 0.00 0.00 39.48 36.09 1g3i n PHE 311 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 176.76 176.20 1g3i h GLN 312 N -1.80 0.29 0.00 -1.08 3.07 -1.98 -3.43 115.11 110.18 1g3i h GLN 312 Ca -0.65 -0.49 0.00 0.00 0.09 0.00 0.00 58.65 57.60 1g3i h GLN 312 Cb 1.39 0.18 0.00 0.00 0.08 0.00 0.00 27.48 29.13 1g3i h GLN 312 CO 0.68 1.24 0.00 1.33 0.09 0.00 0.00 178.83 182.16 1g3i n VAL 313 N -3.51 0.00 -0.16 1.86 0.24 -1.26 -4.97 118.33 110.53 1g3i n VAL 313 Ca -0.31 0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 1g3i n VAL 313 Cb 1.05 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 33.19 1g3i n VAL 313 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1g3i n ALA 314 N -2.02 0.00 -2.96 2.33 0.00 -1.26 -5.11 120.51 111.48 1g3i n ALA 314 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1g3i n ALA 314 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1g3i n ALA 314 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1g3i s ARG 315 N -0.69 1.73 0.09 0.00 0.52 -1.26 -4.76 118.95 114.58 1g3i s ARG 315 Ca 0.00 -1.56 -0.25 0.00 -0.52 0.00 0.00 55.73 53.40 1g3i s ARG 315 Cb 0.00 0.44 -0.09 0.00 0.52 0.00 0.00 34.95 35.82 1g3i s ARG 315 CO 0.00 -0.71 1.41 -1.35 0.02 0.00 0.00 175.30 174.67 1g3i h PRO 316 N 2.20 -0.40 0.00 3.54 0.11 -2.00 -0.93 132.00 134.52 1g3i h PRO 316 Ca -0.28 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1g3i h PRO 316 Cb 1.24 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1g3i h PRO 316 CO 0.39 -0.27 0.25 -1.13 -0.21 0.00 0.00 178.00 177.03 1g3i n SER 317 N -4.71 0.06 -0.79 -2.05 3.41 -1.26 -1.68 113.62 106.61 1g3i n SER 317 Ca -0.04 0.32 0.02 0.00 -0.26 0.00 0.00 58.87 58.91 1g3i n SER 317 Cb 0.28 -0.31 0.09 0.00 -0.26 0.00 0.00 64.21 64.01 1g3i n SER 317 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1g3i n ASP 318 N -1.42 2.01 -4.63 4.04 10.43 -0.35 -4.83 116.55 121.80 1g3i n ASP 318 Ca -0.00 -2.20 -0.26 0.00 2.57 0.00 0.00 54.79 54.90 1g3i n ASP 318 Cb 0.26 -0.51 -0.08 0.00 1.84 0.00 0.00 41.12 42.62 1g3i n ASP 318 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1g3i s LEU 319 N -0.66 3.19 0.30 0.64 1.43 -0.67 -3.67 118.68 119.24 1g3i s LEU 319 Ca 0.13 -0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 52.46 1g3i s LEU 319 Cb 0.09 -1.84 -0.13 0.00 0.03 0.00 0.00 46.19 44.34 1g3i s LEU 319 CO 0.04 0.08 1.28 2.30 0.23 0.00 0.00 176.35 180.28 1g3i n ILE 320 N -0.16 1.70 -0.33 -0.59 -5.35 -1.26 -4.76 119.36 108.62 1g3i n ILE 320 Ca -0.10 -0.43 0.19 0.00 -0.27 0.00 0.00 62.75 62.14 1g3i n ILE 320 Cb 0.56 -1.46 0.39 0.00 -1.74 0.00 0.00 39.64 37.39 1g3i n ILE 320 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 1g3i h PRO 321 N 2.93 0.38 -0.04 6.28 0.11 -1.98 -1.92 132.00 137.76 1g3i h PRO 321 Ca -0.45 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.66 1g3i h PRO 321 Cb 1.29 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1g3i h PRO 321 CO 0.66 0.25 -0.52 0.93 -0.21 0.00 0.00 178.00 179.11 1g3i h GLU 322 N 0.39 -0.60 -0.33 1.05 3.07 -2.00 -1.93 114.58 114.24 1g3i h GLU 322 Ca 0.65 0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.54 1g3i h GLU 322 Cb 1.36 0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 29.39 1g3i h GLU 322 CO -0.56 -0.40 0.13 -0.07 -1.40 0.00 0.00 179.01 176.71 1g3i h LEU 323 N -0.62 0.41 -1.99 1.33 4.07 -1.71 -2.14 115.31 114.65 1g3i h LEU 323 Ca 0.02 -0.03 0.02 0.00 0.08 0.00 0.00 57.88 57.96 1g3i h LEU 323 Cb 0.68 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.32 1g3i h LEU 323 CO -0.37 0.37 0.06 1.56 -1.08 0.00 0.00 178.44 178.98 1g3i h GLN 324 N 0.46 0.01 -0.00 1.13 4.20 -0.98 -1.43 115.11 118.48 1g3i h GLN 324 Ca 0.11 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1g3i h GLN 324 Cb 0.09 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1g3i h GLN 324 CO -0.01 0.01 -0.70 0.41 -0.67 0.00 0.00 178.83 177.87 1g3i n GLY 325 N -1.55 -0.98 1.15 3.46 0.00 -0.84 -4.02 105.19 102.41 1g3i n GLY 325 Ca -0.01 -0.49 -0.04 0.00 0.00 0.00 0.00 46.02 45.48 1g3i n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g3i n ARG 326 N -1.30 1.81 -2.69 1.61 5.12 -0.59 -4.41 116.66 116.21 1g3i n ARG 326 Ca 0.06 -3.21 -0.07 0.00 -1.93 0.00 0.00 57.85 52.70 1g3i n ARG 326 Cb 0.35 -1.81 0.11 0.00 -1.16 0.00 0.00 32.46 29.94 1g3i n ARG 326 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1g3i n LEU 327 N -1.13 -1.33 0.27 0.55 4.77 -0.93 -4.64 117.00 114.56 1g3i n LEU 327 Ca 0.33 -3.49 0.18 0.00 -0.03 0.00 0.00 56.01 53.00 1g3i n LEU 327 Cb 1.02 0.09 0.86 0.00 -2.33 0.00 0.00 43.42 43.07 1g3i n LEU 327 CO 0.18 1.83 1.15 -0.65 -1.33 0.00 0.00 177.39 178.57 1g3i h PRO 328 N 2.12 0.00 -5.33 3.23 0.11 -1.75 -3.42 132.00 126.97 1g3i h PRO 328 Ca -0.26 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.23 1g3i h PRO 328 Cb 1.28 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.26 1g3i h PRO 328 CO 0.02 0.00 -0.02 0.42 -0.21 0.00 0.00 178.00 178.21 1g3i s ILE 329 N -4.30 5.05 -0.32 4.15 1.01 -0.98 -5.03 121.20 120.77 1g3i s ILE 329 Ca -0.04 0.74 -0.03 0.00 0.00 0.00 0.00 60.65 61.32 1g3i s ILE 329 Cb 0.12 -3.87 0.05 0.00 0.01 0.00 0.00 42.46 38.77 1g3i s ILE 329 CO 0.40 -0.01 0.05 -0.13 0.00 0.00 0.00 174.94 175.25 1g3i s ARG 330 N 2.35 2.43 -0.19 2.79 1.81 -1.26 -1.13 118.95 125.75 1g3i s ARG 330 Ca 0.21 -1.31 -0.04 0.00 -1.72 0.00 0.00 55.73 52.87 1g3i s ARG 330 Cb -0.15 -3.30 -0.02 0.00 -0.45 0.00 0.00 34.95 31.02 1g3i s ARG 330 CO 0.10 -0.68 -0.02 0.54 -0.68 0.00 0.00 175.30 174.57 1g3i s VAL 331 N 1.28 3.90 -0.40 3.52 0.11 -0.62 -4.99 120.40 123.20 1g3i s VAL 331 Ca -0.03 -0.34 -0.14 0.00 -2.93 0.00 0.00 61.98 58.55 1g3i s VAL 331 Cb -0.20 -2.74 0.02 0.00 -1.53 0.00 0.00 36.38 31.93 1g3i s VAL 331 CO -0.00 0.45 0.27 -0.70 -3.33 0.00 0.00 175.10 171.79 1g3i s GLU 332 N 0.81 2.92 0.78 1.54 2.12 -1.26 -0.59 118.70 125.01 1g3i s GLU 332 Ca -0.00 -1.05 -0.09 0.00 0.36 0.00 0.00 54.97 54.19 1g3i s GLU 332 Cb -0.14 -3.90 0.10 0.00 0.26 0.00 0.00 34.13 30.44 1g3i s GLU 332 CO 0.02 -0.74 1.10 -0.51 -0.54 0.00 0.00 175.26 174.59 1g3i s LEU 333 N 1.64 2.76 0.31 2.70 1.43 0.47 -4.59 118.68 123.39 1g3i s LEU 333 Ca 0.04 0.38 0.07 0.00 -1.03 0.00 0.00 54.13 53.59 1g3i s LEU 333 Cb -0.19 -2.85 -0.06 0.00 0.03 0.00 0.00 46.19 43.12 1g3i s LEU 333 CO 0.09 -1.91 -0.04 0.42 0.23 0.00 0.00 176.35 175.14 1g3i s THR 334 N -3.42 1.69 0.54 5.49 -4.23 -1.26 -4.71 115.64 109.73 1g3i s THR 334 Ca 0.64 -2.10 -0.16 0.00 -1.18 0.00 0.00 61.69 58.88 1g3i s THR 334 Cb -0.09 -2.59 -0.07 0.00 1.34 0.00 0.00 72.50 71.10 1g3i s THR 334 CO 0.47 -0.21 1.00 0.00 -0.54 0.00 0.00 174.62 175.34 1g3i s ALA 335 N -2.97 3.01 -0.16 3.99 0.00 -1.26 -4.81 121.76 119.55 1g3i s ALA 335 Ca 0.32 0.21 -0.26 0.00 0.00 0.00 0.00 51.96 52.22 1g3i s ALA 335 Cb 0.05 -3.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 1g3i s ALA 335 CO 0.14 -0.37 0.88 -0.51 0.00 0.00 0.00 175.76 175.90 1g3i s LEU 336 N -4.21 4.18 0.00 0.00 1.43 -1.26 -5.02 118.68 113.80 1g3i s LEU 336 Ca 0.60 1.25 -0.04 0.00 -1.03 0.00 0.00 54.13 54.91 1g3i s LEU 336 Cb -0.11 -3.31 0.12 0.00 0.03 0.00 0.00 46.19 42.91 1g3i s LEU 336 CO 0.34 -0.43 0.76 -1.54 0.23 0.00 0.00 176.35 175.70 1g3i n SER 337 N 5.30 0.65 0.02 2.29 3.41 -1.26 -4.92 113.62 119.10 1g3i n SER 337 Ca 0.06 -1.64 -0.12 0.00 -0.26 0.00 0.00 58.87 56.92 1g3i n SER 337 Cb 0.48 -0.53 -0.07 0.00 -0.26 0.00 0.00 64.21 63.84 1g3i n SER 337 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g3i h ALA 338 N -0.98 0.06 0.00 7.33 0.00 -1.97 -2.08 119.26 121.62 1g3i h ALA 338 Ca -0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1g3i h ALA 338 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1g3i h ALA 338 CO 0.23 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.07 1g3i h ALA 339 N 0.96 1.00 0.00 0.00 0.00 -1.95 -2.57 119.26 116.70 1g3i h ALA 339 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1g3i h ALA 339 Cb 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1g3i h ALA 339 CO -0.00 0.00 -0.02 -0.44 0.00 0.00 0.00 179.25 178.79 1g3i h ASP 340 N 0.00 0.00 0.95 0.00 3.45 -1.74 -3.03 116.42 116.05 1g3i h ASP 340 Ca 0.00 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.40 1g3i h ASP 340 Cb 0.41 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 1g3i h ASP 340 CO 0.00 0.02 -1.09 -0.26 -1.57 0.00 0.00 179.24 176.34 1g3i h PHE 341 N 0.00 0.00 0.00 4.55 -1.00 -1.25 -2.60 116.94 116.64 1g3i h PHE 341 Ca -0.00 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 1g3i h PHE 341 Cb 0.94 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.49 1g3i h PHE 341 CO 0.00 0.22 -0.33 1.49 -1.61 0.00 0.00 178.31 178.09 1g3i h GLU 342 N 0.00 0.00 0.00 1.51 4.81 -1.49 -2.81 114.58 116.60 1g3i h GLU 342 Ca -0.06 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.05 1g3i h GLU 342 Cb 1.22 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1g3i h GLU 342 CO 0.02 0.33 -0.98 0.54 -0.73 0.00 0.00 179.01 178.18 1g3i n ARG 343 N -3.54 0.51 0.02 1.92 1.74 -1.17 -4.11 116.66 112.03 1g3i n ARG 343 Ca -0.00 0.50 0.01 0.00 -0.77 0.00 0.00 57.85 57.59 1g3i n ARG 343 Cb 0.47 -1.68 0.05 0.00 -1.02 0.00 0.00 32.46 30.27 1g3i n ARG 343 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1g3i n ILE 344 N -4.51 1.32 0.66 0.55 5.41 -0.98 -0.45 119.36 121.36 1g3i n ILE 344 Ca -0.21 0.53 0.12 0.00 1.00 0.00 0.00 62.75 64.19 1g3i n ILE 344 Cb 0.49 -1.53 0.25 0.00 -0.71 0.00 0.00 39.64 38.14 1g3i n ILE 344 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1g3i n LEU 345 N -1.43 0.66 0.00 1.39 7.94 -1.06 -4.59 117.00 119.91 1g3i n LEU 345 Ca -0.00 0.29 0.00 0.00 -1.11 0.00 0.00 56.01 55.19 1g3i n LEU 345 Cb 0.16 -0.24 0.00 0.00 0.53 0.00 0.00 43.42 43.88 1g3i n LEU 345 CO 0.01 -0.06 0.00 0.35 -1.11 0.00 0.00 177.39 176.58 1g3i n THR 346 N -2.04 0.00 -0.17 1.96 -2.24 0.41 -2.89 114.28 109.31 1g3i n THR 346 Ca 0.04 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.87 1g3i n THR 346 Cb 0.42 -0.12 0.09 0.00 -2.10 0.00 0.00 70.33 68.62 1g3i n THR 346 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1g3i n GLU 347 N -2.25 -0.04 -2.13 -0.78 1.02 -1.09 -4.50 120.64 110.87 1g3i n GLU 347 Ca 0.00 0.73 -0.39 0.00 -0.02 0.00 0.00 57.16 57.48 1g3i n GLU 347 Cb 0.00 -1.12 -0.01 0.00 -0.02 0.00 0.00 31.44 30.30 1g3i n GLU 347 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1g3i s PRO 348 N -5.49 3.89 0.21 3.49 0.02 -1.25 -4.89 135.00 130.98 1g3i s PRO 348 Ca -0.07 2.01 -0.31 0.00 0.02 0.00 0.00 61.00 62.66 1g3i s PRO 348 Cb 0.13 -2.64 -0.10 0.00 0.02 0.00 0.00 34.50 31.91 1g3i s PRO 348 CO 0.37 -0.51 1.48 -1.01 -0.33 0.00 0.00 177.00 177.01 1g3i s HIS 349 N -1.35 3.05 -0.17 6.54 3.76 1.29 -1.71 115.29 126.71 1g3i s HIS 349 Ca 0.59 0.87 0.00 0.00 -0.15 0.00 0.00 55.06 56.37 1g3i s HIS 349 Cb -0.35 -3.85 0.00 0.00 1.11 0.00 0.00 32.58 29.50 1g3i s HIS 349 CO 0.44 -2.92 0.00 0.00 -0.85 0.00 0.00 174.74 171.41 1g3i n ALA 350 N 3.07 -0.03 -0.95 -1.40 0.00 -1.26 -4.76 120.51 115.19 1g3i n ALA 350 Ca 0.10 0.03 -0.33 0.00 0.00 0.00 0.00 53.44 53.24 1g3i n ALA 350 Cb 0.40 -0.62 0.14 0.00 0.00 0.00 0.00 19.45 19.36 1g3i n ALA 350 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1g3i n SER 351 N 1.73 0.55 -0.15 0.00 3.41 -0.69 -4.55 113.62 113.92 1g3i n SER 351 Ca -0.02 0.52 -0.03 0.00 -0.26 0.00 0.00 58.87 59.08 1g3i n SER 351 Cb 0.09 -1.47 0.05 0.00 -0.26 0.00 0.00 64.21 62.62 1g3i n SER 351 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1g3i h LEU 352 N -1.26 0.03 -0.31 1.04 3.38 -1.81 0.34 115.31 116.72 1g3i h LEU 352 Ca -0.45 0.08 0.07 0.00 0.09 0.00 0.00 57.88 57.67 1g3i h LEU 352 Cb 1.29 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 42.07 1g3i h LEU 352 CO 0.43 0.05 -0.14 0.71 0.09 0.00 0.00 178.44 179.58 1g3i h THR 353 N 0.25 0.56 0.01 0.22 1.35 -1.88 -0.61 112.91 112.80 1g3i h THR 353 Ca 0.23 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.09 1g3i h THR 353 Cb 0.29 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.27 1g3i h THR 353 CO -0.29 0.00 -0.00 -0.33 -0.25 0.00 0.00 175.52 174.65 1g3i h GLU 354 N -0.09 -0.01 -0.61 4.72 4.39 -1.54 -1.22 114.58 120.22 1g3i h GLU 354 Ca 0.16 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.94 1g3i h GLU 354 Cb 0.33 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.92 1g3i h GLU 354 CO -0.37 0.02 0.27 1.96 -1.16 0.00 0.00 179.01 179.73 1g3i h GLN 355 N -0.04 0.48 0.00 2.33 4.20 0.19 -1.00 115.11 121.27 1g3i h GLN 355 Ca -0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1g3i h GLN 355 Cb 0.04 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1g3i h GLN 355 CO 0.00 0.32 0.00 1.88 -0.67 0.00 0.00 178.83 180.36 1g3i h TYR 356 N 0.50 0.00 -0.01 2.96 0.05 -1.06 -2.01 116.97 117.39 1g3i h TYR 356 Ca 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.07 1g3i h TYR 356 Cb 0.29 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.03 1g3i h TYR 356 CO -0.13 0.00 -0.01 -0.22 -1.05 0.00 0.00 178.16 176.75 1g3i h LYS 357 N 0.00 0.03 -0.04 4.88 3.64 -0.17 -2.62 116.57 122.29 1g3i h LYS 357 Ca 0.00 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.18 1g3i h LYS 357 Cb 0.91 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 1g3i h LYS 357 CO 0.00 0.51 -0.77 0.00 -2.27 0.00 0.00 179.45 176.92 1g3i h ALA 358 N 0.52 0.60 0.00 5.00 0.00 -1.25 -2.21 119.26 121.91 1g3i h ALA 358 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1g3i h ALA 358 Cb 0.51 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1g3i h ALA 358 CO 0.00 0.81 0.00 1.28 0.00 0.00 0.00 179.25 181.34 1g3i n LEU 359 N -3.78 0.57 -0.40 0.00 4.77 -0.76 -2.37 117.00 115.03 1g3i n LEU 359 Ca -0.04 0.61 0.07 0.00 -0.03 0.00 0.00 56.01 56.62 1g3i n LEU 359 Cb 0.73 -0.50 0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1g3i n LEU 359 CO 0.47 -0.40 0.33 0.23 -1.33 0.00 0.00 177.39 176.70 1g3i n MET 360 N -2.10 1.47 -0.02 3.23 2.81 -0.99 -4.33 117.12 117.20 1g3i n MET 360 Ca 0.03 -0.96 -0.10 0.00 -1.81 0.00 0.00 57.70 54.87 1g3i n MET 360 Cb 0.27 -1.21 -0.14 0.00 -0.71 0.00 0.00 33.22 31.43 1g3i n MET 360 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1g3i n ALA 361 N 0.21 1.42 1.00 3.04 0.00 -0.85 -2.80 120.51 122.54 1g3i n ALA 361 Ca 0.06 -0.77 0.03 0.00 0.00 0.00 0.00 53.44 52.77 1g3i n ALA 361 Cb 0.30 -0.81 0.19 0.00 0.00 0.00 0.00 19.45 19.13 1g3i n ALA 361 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1g3i n THR 362 N -3.09 0.00 0.35 0.00 -1.04 -1.10 -0.40 114.28 109.01 1g3i n THR 362 Ca -0.19 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.86 1g3i n THR 362 Cb 1.06 -0.45 -0.06 0.00 -1.82 0.00 0.00 70.33 69.06 1g3i n THR 362 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1g3i n GLU 363 N -0.70 3.26 -0.16 -2.82 -0.58 -1.24 -4.98 120.64 113.42 1g3i n GLU 363 Ca 0.05 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1g3i n GLU 363 Cb 0.02 -0.99 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 1g3i n GLU 363 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1g3i n GLY 364 N 1.36 0.92 3.51 0.62 0.00 0.47 -4.72 105.19 107.35 1g3i n GLY 364 Ca 0.01 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1g3i n GLY 364 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g3i s VAL 365 N -2.00 2.96 0.03 1.61 1.01 -1.12 0.16 120.40 123.04 1g3i s VAL 365 Ca 0.00 -1.52 0.06 0.00 0.00 0.00 0.00 61.98 60.52 1g3i s VAL 365 Cb 0.00 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1g3i s VAL 365 CO 0.00 0.06 -0.14 0.21 0.00 0.00 0.00 175.10 175.22 1g3i s ASN 366 N -2.28 4.06 -0.06 3.32 3.04 0.27 -3.55 114.94 119.73 1g3i s ASN 366 Ca 0.20 -0.34 0.01 0.00 0.04 0.00 0.00 52.86 52.77 1g3i s ASN 366 Cb -0.10 -0.76 0.02 0.00 -1.54 0.00 0.00 41.25 38.87 1g3i s ASN 366 CO 0.11 0.26 -0.06 0.27 -3.04 0.00 0.00 177.10 174.65 1g3i s ILE 367 N -0.94 0.67 -0.25 -5.21 -4.36 -1.26 -2.99 121.20 106.86 1g3i s ILE 367 Ca 0.15 -0.17 -0.09 0.00 -0.26 0.00 0.00 60.65 60.28 1g3i s ILE 367 Cb -0.11 -0.69 -0.04 0.00 1.25 0.00 0.00 42.46 42.87 1g3i s ILE 367 CO 0.06 0.27 0.13 0.00 0.24 0.00 0.00 174.94 175.64 1g3i s ALA 368 N 1.08 3.43 -0.78 2.27 0.00 -0.91 -4.99 121.76 121.86 1g3i s ALA 368 Ca -0.08 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 50.83 1g3i s ALA 368 Cb -0.14 -2.24 0.20 0.00 0.00 0.00 0.00 23.12 20.94 1g3i s ALA 368 CO -0.01 -0.32 0.66 -0.06 0.00 0.00 0.00 175.76 176.03 1g3i s PHE 369 N 1.31 3.68 0.78 0.00 2.99 -1.26 0.21 117.98 125.69 1g3i s PHE 369 Ca 0.06 -2.66 -0.14 0.00 0.00 0.00 0.00 56.93 54.20 1g3i s PHE 369 Cb -0.15 -3.39 0.07 0.00 0.00 0.00 0.00 43.02 39.56 1g3i s PHE 369 CO 0.06 -0.85 1.22 -0.08 -0.00 0.00 0.00 175.22 175.57 1g3i s THR 370 N -0.48 2.02 0.14 0.64 -1.32 -1.07 -4.89 115.64 110.68 1g3i s THR 370 Ca 0.21 0.01 -0.12 0.00 -1.21 0.00 0.00 61.69 60.58 1g3i s THR 370 Cb -0.14 -2.51 -0.02 0.00 -1.51 0.00 0.00 72.50 68.33 1g3i s THR 370 CO -0.07 -0.01 1.52 0.71 -2.21 0.00 0.00 174.62 174.56 1g3i h THR 371 N -0.69 1.27 0.00 5.08 1.35 -1.98 -2.51 112.91 115.44 1g3i h THR 371 Ca -0.47 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.01 1g3i h THR 371 Cb 1.30 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 1g3i h THR 371 CO 0.47 0.47 0.00 -0.90 -0.25 0.00 0.00 175.52 175.31 1g3i n ASP 372 N -4.17 0.00 -0.15 5.36 3.85 -1.26 -1.65 116.55 118.53 1g3i n ASP 372 Ca -0.01 -0.31 0.02 0.00 -0.71 0.00 0.00 54.79 53.79 1g3i n ASP 372 Cb 0.46 -0.05 0.01 0.00 -1.35 0.00 0.00 41.12 40.18 1g3i n ASP 372 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1g3i n ALA 373 N -1.05 2.51 0.08 2.12 0.00 -0.97 -4.38 120.51 118.82 1g3i n ALA 373 Ca 0.09 -0.44 0.04 0.00 0.00 0.00 0.00 53.44 53.13 1g3i n ALA 373 Cb 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 1g3i n ALA 373 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1g3i h VAL 374 N 0.74 0.43 0.01 0.00 2.07 -1.11 -3.30 116.25 115.10 1g3i h VAL 374 Ca 0.00 -1.77 -0.00 0.00 0.82 0.00 0.00 66.70 65.75 1g3i h VAL 374 Cb 0.18 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1g3i h VAL 374 CO 0.00 0.25 -0.01 0.11 0.02 0.00 0.00 177.57 177.94 1g3i h LYS 375 N 0.00 -0.02 -1.13 1.57 1.57 -1.77 -1.46 116.57 115.32 1g3i h LYS 375 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1g3i h LYS 375 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.70 1g3i h LYS 375 CO 0.04 0.48 0.00 1.63 -0.57 0.00 0.00 179.45 181.03 1g3i n LYS 376 N -4.86 0.83 0.00 3.15 5.02 -1.25 0.70 118.16 121.76 1g3i n LYS 376 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1g3i n LYS 376 Cb 0.26 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1g3i n LYS 376 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1g3i n ILE 377 N 0.54 0.00 -0.07 -0.18 5.41 -1.15 -4.54 119.36 119.37 1g3i n ILE 377 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.72 1g3i n ILE 377 Cb 0.40 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 39.18 1g3i n ILE 377 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1g3i n ALA 378 N -0.15 1.91 0.53 -1.39 0.00 -0.56 -3.73 120.51 117.12 1g3i n ALA 378 Ca 0.00 -1.02 0.12 0.00 0.00 0.00 0.00 53.44 52.54 1g3i n ALA 378 Cb 0.00 -0.33 0.13 0.00 0.00 0.00 0.00 19.45 19.26 1g3i n ALA 378 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1g3i h GLU 379 N 0.00 0.00 -0.14 0.00 4.81 0.04 -3.05 114.58 116.24 1g3i h GLU 379 Ca -0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1g3i h GLU 379 Cb 1.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.17 1g3i h GLU 379 CO 0.02 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.30 1g3i n ALA 380 N -1.86 2.48 -0.00 2.92 0.00 -1.26 -2.05 120.51 120.75 1g3i n ALA 380 Ca 0.03 -0.69 0.05 0.00 0.00 0.00 0.00 53.44 52.83 1g3i n ALA 380 Cb 0.45 -0.95 -0.08 0.00 0.00 0.00 0.00 19.45 18.87 1g3i n ALA 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g3i n ALA 381 N 0.98 2.41 0.00 0.00 0.00 -1.22 -4.25 120.51 118.44 1g3i n ALA 381 Ca 0.17 -0.26 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 1g3i n ALA 381 Cb 0.51 -0.37 -0.14 0.00 0.00 0.00 0.00 19.45 19.45 1g3i n ALA 381 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1g3i h PHE 382 N 0.00 0.44 0.00 0.00 3.57 -1.61 -3.21 116.94 116.13 1g3i h PHE 382 Ca 0.00 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 61.18 1g3i h PHE 382 Cb 0.49 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1g3i h PHE 382 CO 0.00 1.64 0.06 -2.13 -2.23 0.00 0.00 178.31 175.66 1g3i n ARG 383 N -3.80 0.05 -0.09 1.11 3.00 -0.87 -0.73 116.66 115.34 1g3i n ARG 383 Ca -0.28 0.52 -0.09 0.00 -0.00 0.00 0.00 57.85 58.00 1g3i n ARG 383 Cb 0.95 -1.74 -0.16 0.00 0.00 0.00 0.00 32.46 31.51 1g3i n ARG 383 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1g3i n VAL 384 N -1.76 1.31 0.27 5.15 0.31 -1.24 -4.29 118.33 118.08 1g3i n VAL 384 Ca -0.01 -0.84 0.13 0.00 -0.01 0.00 0.00 64.34 63.61 1g3i n VAL 384 Cb 0.08 -0.43 0.28 0.00 -0.91 0.00 0.00 33.84 32.85 1g3i n VAL 384 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1g3i h ASN 385 N 0.00 0.00 -0.18 4.52 -0.26 -0.93 -2.92 115.58 115.81 1g3i h ASN 385 Ca -0.52 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.22 1g3i h ASN 385 Cb 2.18 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.44 1g3i h ASN 385 CO 0.03 0.00 0.00 1.21 -1.06 0.00 0.00 177.43 177.61 1g3i n GLU 386 N -3.00 1.79 -0.70 0.81 2.13 -0.89 -3.88 120.64 116.91 1g3i n GLU 386 Ca 0.04 -1.18 0.03 0.00 0.66 0.00 0.00 57.16 56.71 1g3i n GLU 386 Cb 0.48 -1.40 0.05 0.00 0.27 0.00 0.00 31.44 30.83 1g3i n GLU 386 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1g3i n LYS 387 N 0.41 0.36 -3.07 5.31 5.02 -1.11 -5.08 118.16 119.99 1g3i n LYS 387 Ca 0.16 -1.73 0.00 0.00 -2.02 0.00 0.00 58.31 54.72 1g3i n LYS 387 Cb 0.35 -0.64 0.00 0.00 -0.02 0.00 0.00 35.03 34.72 1g3i n LYS 387 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1g3i n THR 388 N -0.21 0.00 -1.73 -0.18 -2.24 -1.16 -4.87 114.28 103.89 1g3i n THR 388 Ca 0.06 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.41 1g3i n THR 388 Cb 0.81 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.02 1g3i n THR 388 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1g3i n GLU 389 N 0.00 2.56 -3.11 -0.78 4.71 -1.26 -4.73 120.64 118.03 1g3i n GLU 389 Ca 0.00 0.91 -0.44 0.00 -0.01 0.00 0.00 57.16 57.62 1g3i n GLU 389 Cb 0.00 -2.67 0.00 0.00 -1.01 0.00 0.00 31.44 27.76 1g3i n GLU 389 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1g3i n ASN 390 N 2.34 5.57 0.00 1.62 4.05 -1.26 -4.57 115.26 123.01 1g3i n ASN 390 Ca 0.10 -3.09 0.08 0.00 0.45 0.00 0.00 54.58 52.11 1g3i n ASN 390 Cb 0.35 -1.42 0.42 0.00 1.23 0.00 0.00 39.78 40.36 1g3i n ASN 390 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1g3i n ILE 391 N 2.99 0.34 -4.11 -1.44 -5.35 -1.26 -4.54 119.36 105.99 1g3i n ILE 391 Ca 0.29 0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.85 1g3i n ILE 391 Cb 0.39 -0.84 0.00 0.00 -1.74 0.00 0.00 39.64 37.45 1g3i n ILE 391 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1g3i n GLY 392 N -0.01 -0.08 0.28 3.28 0.00 -1.10 -3.60 105.19 103.96 1g3i n GLY 392 Ca 0.09 -1.02 0.04 0.00 0.00 0.00 0.00 46.02 45.12 1g3i n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g3i h ALA 393 N -0.11 0.65 -0.05 4.61 0.00 -1.78 0.21 119.26 122.79 1g3i h ALA 393 Ca 0.00 0.27 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1g3i h ALA 393 Cb 0.00 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1g3i h ALA 393 CO 0.00 -0.43 0.78 0.00 0.00 0.00 0.00 179.25 179.61 1g3i h ARG 394 N 0.04 0.00 -0.61 0.00 3.08 -1.83 1.45 114.38 116.52 1g3i h ARG 394 Ca 0.40 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.40 1g3i h ARG 394 Cb 0.66 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 1g3i h ARG 394 CO -0.74 0.00 0.20 -0.09 -1.07 0.00 0.00 179.97 178.27 1g3i h ARG 395 N 0.00 0.95 -0.44 0.04 9.65 -0.81 -2.85 114.38 120.91 1g3i h ARG 395 Ca 0.02 -0.20 0.09 0.00 -1.10 0.00 0.00 59.98 58.79 1g3i h ARG 395 Cb 1.59 -0.14 -0.08 0.00 -1.39 0.00 0.00 29.97 29.95 1g3i h ARG 395 CO -0.00 0.83 -0.07 -0.07 2.80 0.00 0.00 179.97 183.47 1g3i h LEU 396 N 0.87 -0.32 -0.30 3.80 3.38 0.19 -0.83 115.31 122.09 1g3i h LEU 396 Ca 0.20 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.36 1g3i h LEU 396 Cb 0.28 0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 1g3i h LEU 396 CO -0.01 -0.11 -0.33 0.45 0.09 0.00 0.00 178.44 178.53 1g3i h HIS 397 N 0.04 -0.91 0.00 1.13 3.86 -1.59 0.28 115.15 117.96 1g3i h HIS 397 Ca 0.22 0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.47 1g3i h HIS 397 Cb 0.33 0.44 -0.00 0.00 1.06 0.00 0.00 27.41 29.24 1g3i h HIS 397 CO -0.35 -0.39 -0.01 1.79 0.86 0.00 0.00 177.93 179.83 1g3i h THR 398 N -0.31 0.79 0.05 2.45 1.35 -1.31 -1.51 112.91 114.44 1g3i h THR 398 Ca 0.14 -0.05 -0.00 0.00 -0.55 0.00 0.00 66.41 65.95 1g3i h THR 398 Cb 0.54 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1g3i h THR 398 CO -0.47 0.01 -0.03 0.58 -0.25 0.00 0.00 175.52 175.37 1g3i h VAL 399 N 0.00 1.29 -0.31 6.82 2.07 0.82 -3.20 116.25 123.73 1g3i h VAL 399 Ca -0.00 -1.41 0.03 0.00 0.82 0.00 0.00 66.70 66.13 1g3i h VAL 399 Cb 0.03 2.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 1g3i h VAL 399 CO 0.00 0.34 0.13 0.24 0.02 0.00 0.00 177.57 178.30 1g3i h MET 400 N -0.73 0.28 -1.05 1.57 2.86 -0.45 -1.76 114.93 115.65 1g3i h MET 400 Ca -0.01 -0.02 0.29 0.00 -2.06 0.00 0.00 59.70 57.91 1g3i h MET 400 Cb 0.61 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.15 1g3i h MET 400 CO 0.01 0.18 0.73 1.49 1.06 0.00 0.00 176.91 180.38 1g3i h GLU 401 N 0.29 0.12 0.04 1.72 4.57 -1.37 1.10 114.58 121.06 1g3i h GLU 401 Ca 0.13 -0.01 -0.24 0.00 -1.18 0.00 0.00 59.36 58.07 1g3i h GLU 401 Cb 0.07 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1g3i h GLU 401 CO -0.11 0.08 -1.12 -0.09 -1.18 0.00 0.00 179.01 176.59 1g3i h ARG 402 N 0.13 0.09 0.02 1.92 9.65 -1.34 -3.10 114.38 121.75 1g3i h ARG 402 Ca 0.53 -0.16 -0.00 0.00 -1.10 0.00 0.00 59.98 59.24 1g3i h ARG 402 Cb 1.84 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 30.48 1g3i h ARG 402 CO -0.09 1.06 -0.01 1.25 2.80 0.00 0.00 179.97 184.98 1g3i h LEU 403 N 0.03 -0.02 -1.73 3.80 5.85 0.16 -3.13 115.31 120.26 1g3i h LEU 403 Ca -0.07 -0.53 -0.02 0.00 0.84 0.00 0.00 57.88 58.10 1g3i h LEU 403 Cb 1.85 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.87 1g3i h LEU 403 CO 0.15 0.53 0.03 0.23 -0.34 0.00 0.00 178.44 179.04 1g3i n MET 404 N -4.84 1.72 0.17 1.25 0.00 0.11 -3.78 117.12 111.76 1g3i n MET 404 Ca -0.09 -0.67 0.07 0.00 0.00 0.00 0.00 57.70 57.02 1g3i n MET 404 Cb 0.28 -1.58 0.09 0.00 0.00 0.00 0.00 33.22 32.01 1g3i n MET 404 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 1g3i h ASP 405 N 0.73 0.00 0.26 7.83 -0.00 -1.48 -1.85 116.42 121.91 1g3i h ASP 405 Ca 0.03 0.00 -0.34 0.00 -0.00 0.00 0.00 57.03 56.72 1g3i h ASP 405 Cb 0.94 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 40.24 1g3i h ASP 405 CO 0.13 0.23 -1.91 1.17 -0.00 0.00 0.00 179.24 178.87 1g3i n LYS 406 N -3.13 0.71 -0.06 0.28 0.00 -1.25 -4.40 118.16 110.31 1g3i n LYS 406 Ca 0.03 0.27 -0.18 0.00 0.00 0.00 0.00 58.31 58.42 1g3i n LYS 406 Cb 0.63 -1.73 -0.13 0.00 0.00 0.00 0.00 35.03 33.80 1g3i n LYS 406 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.40 178.37 1g3i h ILE 407 N 0.04 1.40 0.00 3.15 2.10 -1.79 -3.35 117.51 119.06 1g3i h ILE 407 Ca -0.38 -2.32 0.00 0.00 1.08 0.00 0.00 64.86 63.24 1g3i h ILE 407 Cb 2.03 2.93 0.00 0.00 -1.09 0.00 0.00 36.82 40.69 1g3i h ILE 407 CO 0.08 0.54 0.26 -1.28 -1.08 0.00 0.00 178.15 176.67 1g3i h SER 408 N -0.86 0.00 0.02 2.19 0.87 -1.57 -2.60 113.55 111.61 1g3i h SER 408 Ca -0.16 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.15 1g3i h SER 408 Cb 1.24 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.17 1g3i h SER 408 CO -0.05 0.00 -1.39 0.15 -0.53 0.00 0.00 176.83 175.01 1g3i h PHE 409 N 0.00 0.09 -2.29 2.24 3.57 -1.77 -3.41 116.94 115.37 1g3i h PHE 409 Ca 0.00 -0.07 -0.72 0.00 3.53 0.00 0.00 57.97 60.71 1g3i h PHE 409 Cb 0.53 -0.00 -0.33 0.00 2.79 0.00 0.00 35.95 38.93 1g3i h PHE 409 CO 0.00 1.54 0.37 -1.13 -2.23 0.00 0.00 178.31 176.86 1g3i n SER 410 N -4.27 6.18 -0.01 0.41 3.41 -0.99 -4.55 113.62 113.81 1g3i n SER 410 Ca -0.32 -3.67 0.10 0.00 -0.26 0.00 0.00 58.87 54.72 1g3i n SER 410 Cb 0.75 -0.94 -0.15 0.00 -0.26 0.00 0.00 64.21 63.61 1g3i n SER 410 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g3i n ALA 411 N -0.05 2.73 0.02 7.33 0.00 -1.16 -4.15 120.51 125.23 1g3i n ALA 411 Ca 0.40 -0.47 -0.07 0.00 0.00 0.00 0.00 53.44 53.30 1g3i n ALA 411 Cb 0.31 -0.67 -0.05 0.00 0.00 0.00 0.00 19.45 19.04 1g3i n ALA 411 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1g3i h SER 412 N 0.00 -0.14 0.00 0.00 0.02 -1.89 -3.26 113.55 108.28 1g3i h SER 412 Ca 0.00 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1g3i h SER 412 Cb 0.90 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1g3i h SER 412 CO 0.00 0.44 0.00 0.47 -1.14 0.00 0.00 176.83 176.60 1g3i n ASP 413 N -4.87 0.00 -3.27 3.07 10.43 -1.26 -3.45 116.55 117.20 1g3i n ASP 413 Ca -0.05 -0.60 -0.25 0.00 2.57 0.00 0.00 54.79 56.46 1g3i n ASP 413 Cb 0.20 0.00 -0.08 0.00 1.84 0.00 0.00 41.12 43.07 1g3i n ASP 413 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36 1g3i n MET 414 N -0.85 0.42 -3.54 -1.24 2.81 -1.23 -5.13 117.12 108.36 1g3i n MET 414 Ca 0.08 -3.12 -0.35 0.00 -1.81 0.00 0.00 57.70 52.50 1g3i n MET 414 Cb 0.04 -1.47 -0.06 0.00 -0.71 0.00 0.00 33.22 31.02 1g3i n MET 414 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1g3i s ASN 415 N -0.46 6.67 -0.81 7.83 2.47 -1.22 -4.52 114.94 124.90 1g3i s ASN 415 Ca 0.34 0.84 -0.04 0.00 0.42 0.00 0.00 52.86 54.41 1g3i s ASN 415 Cb 0.10 -2.20 0.00 0.00 -1.45 0.00 0.00 41.25 37.71 1g3i s ASN 415 CO -0.16 0.17 0.70 0.61 -3.72 0.00 0.00 177.10 174.71 1g3i n GLY 416 N 0.95 0.01 3.38 1.21 0.00 0.12 -4.99 105.19 105.88 1g3i n GLY 416 Ca -0.08 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 1g3i n GLY 416 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g3i s GLN 417 N -5.58 1.38 -0.36 1.61 -0.21 -1.25 -4.98 119.66 110.27 1g3i s GLN 417 Ca 0.28 -1.39 0.04 0.00 0.02 0.00 0.00 55.36 54.31 1g3i s GLN 417 Cb -0.12 -1.73 0.10 0.00 1.00 0.00 0.00 33.01 32.27 1g3i s GLN 417 CO 0.45 0.39 0.08 0.99 -2.12 0.00 0.00 175.29 175.08 1g3i s THR 418 N -1.41 2.34 -0.13 -0.19 2.01 -1.26 -0.56 115.64 116.43 1g3i s THR 418 Ca 0.15 -2.46 -0.05 0.00 0.31 0.00 0.00 61.69 59.64 1g3i s THR 418 Cb -0.09 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 1g3i s THR 418 CO 0.07 -0.63 0.05 -0.69 -0.69 0.00 0.00 174.62 172.73 1g3i s VAL 419 N 0.77 4.68 -0.15 3.82 1.01 -1.16 -5.00 120.40 124.36 1g3i s VAL 419 Ca 0.12 -0.09 -0.23 0.00 0.00 0.00 0.00 61.98 61.77 1g3i s VAL 419 Cb -0.20 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1g3i s VAL 419 CO -0.07 0.55 0.72 0.20 0.00 0.00 0.00 175.10 176.50 1g3i s ASN 420 N -0.34 6.87 -0.52 3.32 0.01 -1.26 -2.15 114.94 120.87 1g3i s ASN 420 Ca 0.08 1.06 -0.14 0.00 -0.71 0.00 0.00 52.86 53.15 1g3i s ASN 420 Cb -0.12 -2.40 0.13 0.00 0.41 0.00 0.00 41.25 39.26 1g3i s ASN 420 CO 0.02 -0.27 0.46 -0.63 -1.51 0.00 0.00 177.10 175.18 1g3i s ILE 421 N 1.63 4.98 0.00 0.60 1.01 0.13 -4.91 121.20 124.64 1g3i s ILE 421 Ca 0.35 -1.56 0.00 0.00 0.00 0.00 0.00 60.65 59.44 1g3i s ILE 421 Cb -0.17 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.10 1g3i s ILE 421 CO 0.13 -0.84 0.00 -0.90 0.00 0.00 0.00 174.94 173.33 1g3i n ASP 422 N 5.17 1.66 -0.00 3.58 3.85 -1.26 -2.59 116.55 126.96 1g3i n ASP 422 Ca -0.13 -0.64 -0.05 0.00 -0.71 0.00 0.00 54.79 53.26 1g3i n ASP 422 Cb 0.40 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.14 1g3i n ASP 422 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1g3i h ALA 423 N 1.00 -0.59 -0.09 2.12 0.00 -1.90 -0.04 119.26 119.77 1g3i h ALA 423 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1g3i h ALA 423 Cb 0.00 0.73 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1g3i h ALA 423 CO 0.00 -0.66 0.25 0.00 0.00 0.00 0.00 179.25 178.84 1g3i h ALA 424 N -1.04 1.46 0.08 0.00 0.00 -1.98 -2.12 119.26 115.67 1g3i h ALA 424 Ca 0.01 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.68 1g3i h ALA 424 Cb 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1g3i h ALA 424 CO -0.15 -0.29 -1.23 -0.92 0.00 0.00 0.00 179.25 176.66 1g3i h TYR 425 N 0.00 0.32 -0.63 0.00 5.03 -1.70 -3.21 116.97 116.78 1g3i h TYR 425 Ca 0.04 -0.23 0.03 0.00 2.58 0.00 0.00 58.73 61.15 1g3i h TYR 425 Cb 0.53 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.76 1g3i h TYR 425 CO 0.00 1.48 0.39 0.28 -1.32 0.00 0.00 178.16 178.99 1g3i h VAL 426 N -0.50 1.07 0.20 1.81 2.07 -0.59 -2.94 116.25 117.38 1g3i h VAL 426 Ca -0.28 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1g3i h VAL 426 Cb 1.60 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1g3i h VAL 426 CO 0.01 0.14 -0.17 0.00 0.02 0.00 0.00 177.57 177.57 1g3i h ALA 427 N 1.28 -0.93 0.00 1.67 0.00 -1.55 -2.40 119.26 117.32 1g3i h ALA 427 Ca 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1g3i h ALA 427 Cb 0.03 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1g3i h ALA 427 CO -0.11 -0.93 0.00 -3.47 0.00 0.00 0.00 179.25 174.74 1g3i n ASP 428 N -3.30 2.66 -0.04 0.00 -0.08 -1.20 -2.95 116.55 111.64 1g3i n ASP 428 Ca -0.04 -1.59 -0.07 0.00 -1.51 0.00 0.00 54.79 51.59 1g3i n ASP 428 Cb 0.16 -0.52 -0.03 0.00 2.34 0.00 0.00 41.12 43.06 1g3i n ASP 428 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1g3i n ALA 429 N 1.22 2.14 -0.13 -1.67 0.00 -0.91 -4.97 120.51 116.20 1g3i n ALA 429 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1g3i n ALA 429 Cb 0.31 0.36 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1g3i n ALA 429 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1g3i n LEU 430 N -3.00 0.00 0.00 0.00 -0.00 -1.15 -4.86 117.00 107.99 1g3i n LEU 430 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.87 1g3i n LEU 430 Cb 0.62 -0.32 0.00 0.00 -0.00 0.00 0.00 43.42 43.72 1g3i n LEU 430 CO 0.04 -0.43 0.00 0.61 -0.00 0.00 0.00 177.39 177.61 1g3i n GLY 431 N 2.12 0.33 2.92 1.47 0.00 -1.24 -5.10 105.19 105.70 1g3i n GLY 431 Ca 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 1g3i n GLY 431 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1g3i s GLU 432 N 0.00 0.09 -0.23 1.61 -1.05 -1.26 -5.01 118.70 112.85 1g3i s GLU 432 Ca 0.00 0.31 -0.03 0.00 -0.15 0.00 0.00 54.97 55.10 1g3i s GLU 432 Cb 0.00 -0.14 0.00 0.00 -0.44 0.00 0.00 34.13 33.55 1g3i s GLU 432 CO 0.00 -0.14 -0.05 0.08 0.95 0.00 0.00 175.26 176.11 1g3i s VAL 433 N 0.95 3.21 0.21 1.83 1.01 -1.26 -5.10 120.40 121.25 1g3i s VAL 433 Ca -0.07 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.28 1g3i s VAL 433 Cb -0.10 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1g3i s VAL 433 CO -0.05 0.33 -0.12 -0.69 0.00 0.00 0.00 175.10 174.58 1g3i s VAL 434 N 1.43 1.63 0.28 2.92 1.01 -1.26 -5.06 120.40 121.34 1g3i s VAL 434 Ca 0.04 -2.18 -0.30 0.00 0.00 0.00 0.00 61.98 59.54 1g3i s VAL 434 Cb -0.15 -2.09 -0.12 0.00 0.00 0.00 0.00 36.38 34.02 1g3i s VAL 434 CO -0.04 -0.56 1.48 -0.62 0.00 0.00 0.00 175.10 175.37 1g3i n GLU 435 N -0.39 2.38 0.00 2.72 1.02 -1.26 -4.93 120.64 120.19 1g3i n GLU 435 Ca -0.08 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 1g3i n GLU 435 Cb 0.61 -2.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 1g3i n GLU 435 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1g3i n ASN 436 N 1.91 0.00 0.00 1.62 4.05 -1.26 -4.79 115.26 116.78 1g3i n ASN 436 Ca 0.09 0.11 0.00 0.00 0.45 0.00 0.00 54.58 55.23 1g3i n ASN 436 Cb 0.35 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.36 1g3i n ASN 436 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1g3i n GLU 437 N -0.29 0.00 0.00 1.20 4.07 -1.26 -5.07 120.64 119.29 1g3i n GLU 437 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1g3i n GLU 437 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1g3i n GLU 437 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1g3i n ASP 438 N 0.00 0.00 0.00 4.31 2.03 -1.26 -1.62 116.55 120.01 1g3i n ASP 438 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1g3i n ASP 438 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1g3i n ASP 438 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1g3i n LEU 439 N 0.00 0.00 0.00 -2.67 -0.00 -1.26 -2.33 117.00 110.74 1g3i n LEU 439 Ca 0.00 0.54 0.00 0.00 -0.00 0.00 0.00 56.01 56.55 1g3i n LEU 439 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.38 1g3i n LEU 439 CO 0.00 -0.04 0.38 -1.20 -0.00 0.00 0.00 177.39 176.53 1g3i n SER 440 N -1.07 0.00 0.00 1.45 7.64 -0.64 -2.13 113.62 118.87 1g3i n SER 440 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1g3i n SER 440 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1g3i n SER 440 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1g3i n ARG 441 N -0.77 0.00 -2.63 1.43 5.12 -0.98 -4.80 116.66 114.04 1g3i n ARG 441 Ca 0.00 0.14 -0.30 0.00 -1.93 0.00 0.00 57.85 55.77 1g3i n ARG 441 Cb 0.38 -0.60 -0.01 0.00 -1.16 0.00 0.00 32.46 31.07 1g3i n ARG 441 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 1g3i n PHE 442 N -2.19 3.57 -3.73 -1.55 -1.74 -0.91 -4.98 117.46 105.93 1g3i n PHE 442 Ca 0.00 -3.33 -0.12 0.00 -0.56 0.00 0.00 57.45 53.43 1g3i n PHE 442 Cb 0.00 -0.48 -0.11 0.00 1.52 0.00 0.00 39.48 40.41 1g3i n PHE 442 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 1g3i s ILE 443 N -4.93 -0.01 -1.17 1.97 -1.09 -1.13 -5.02 121.20 109.82 1g3i s ILE 443 Ca 0.48 0.03 0.09 0.00 -2.23 0.00 0.00 60.65 59.02 1g3i s ILE 443 Cb 0.33 -0.54 0.07 0.00 -1.58 0.00 0.00 42.46 40.75 1g3i s ILE 443 CO -0.19 0.01 0.80 0.00 -1.23 0.00 0.00 174.94 174.33